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Phenylpropanoide und Polyketide

Phenylpropaniode sind organische Verbindungen, die durch einen aromatischen Ring und einen 3-Kohlenstoff-Propen-Schwanz charakterisiert sind. Polyketide sind Verbindungen, die dadurch charakterisiert sind, dass zwei oder mehr funktionelle Carbonylgruppen mit einem einzigen Kohlenstoffatom verbunden sind.
Phenylpropansäuren (383)
Zimtsäuren und Derivate (371)
Flavonoide (270)
Cumarine und Derivate (230)
Lineare 1,3-Diarylpropanoide (98)
Depside und Depsidone (84)
Isoflavone (67)
Zimtaldehyde (62)
Stilbene (51)
Tetracycline (49)
Anthracycline (30)
Diarylheptanoide (30)
Makrolactame (27)
Makrolid-Lactame (23)
Zimtalkohole (18)
Gerbstoffe (13)
Isocumarine und Derivate (11)
Makrolide und Analoga (9)
Dihydrocumarine (8)
Ochratoxine und verwandte Substanzen (5)
Angucycline (1)

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1

trans-4-Hydroxyzimtsäure, 98%, Thermo Scientific Chemicals

CAS: 501-98-4 Summenformel: C9H8O3 Molekulargewicht (g/mol): 164.16 MDL-Nummer: MFCD00004399 InChI-Schlüssel: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC-Name: (E)-3-(4-Hydroxyphenyl)prop-2-ionsäure SMILES: C1=CC(=CC=C1C=CC(=O)O)O

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InChI-Schlüssel NGSWKAQJJWESNS-ZZXKWVIFSA-N
IUPAC-Name (E)-3-(4-Hydroxyphenyl)prop-2-ionsäure
PubChem CID 637542
CAS 501-98-4
ChEBI CHEBI:32374
MDL-Nummer MFCD00004399
Molekulargewicht (g/mol) 164.16
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
Summenformel C9H8O3
2

Trans-Cinnamaldehyd, 99 %, Thermo Scientific Chemicals

CAS: 14371-10-9 Summenformel: C9H8O Molekulargewicht (g/mol): 132.16 MDL-Nummer: MFCD00007000 InChI-Schlüssel: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

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InChI-Schlüssel KJPRLNWUNMBNBZ-QPJJXVBHSA-N
PubChem CID 637511
CAS 14371-10-9
ChEBI CHEBI:16731
MDL-Nummer MFCD00007000
Molekulargewicht (g/mol) 132.16
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
Summenformel C9H8O
3

4-Isobutyl-alpha-Methylphenylessigsäure, 99 %, Thermo Scientific Chemicals

CAS: 15687-27-1 Summenformel: C13H18O2 Molekulargewicht (g/mol): 206.29 MDL-Nummer: MFCD00010393 InChI-Schlüssel: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC-Name: 2-[4-(2-Methylpropyl)phenyl]propansäure SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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InChI-Schlüssel HEFNNWSXXWATRW-UHFFFAOYNA-N
IUPAC-Name 2-[4-(2-Methylpropyl)phenyl]propansäure
PubChem CID 3672
CAS 15687-27-1
ChEBI CHEBI:5855
MDL-Nummer MFCD00010393
Molekulargewicht (g/mol) 206.29
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
Summenformel C13H18O2
4

Nujol für IR-Spektroskopie, Thermo Scientific Chemicals

CAS: 8012-95-1 Summenformel: MFCD00131611 Molekulargewicht (g/mol): 0.00 MDL-Nummer: MFCD00131611 InChI-Schlüssel: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC-Name: 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid SMILES: *

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InChI-Schlüssel FFNDMZIBVDSQFI-UHFFFAOYSA-N
IUPAC-Name 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid
PubChem CID 68245
CAS 8012-95-1
ChEBI CHEBI:38701
MDL-Nummer MFCD00131611
Molekulargewicht (g/mol) 0.00
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
Summenformel MFCD00131611
5

Coniferylalkohol, 98 %, Thermo Scientific Chemicals

CAS: 458-35-5 Summenformel: Gehäuse C10H12O3 Molekulargewicht (g/mol): 180.20 MDL-Nummer: MFCD00002922 InChI-Schlüssel: JMFRWRFFLBVWSI-NSCUHMNNSA-N Synonym: coniferyl alcohol,coniferol,coniferylalcohol,4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol,gamma-hydroxyisoeugenol,trans-coniferyl alcohol,e-coniferyl alcohol,4-3-hydroxy-1-propenyl-2-methoxyphenol,3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol,4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol PubChem CID: 1549095 ChEBI: CHEBI:17745 SMILES: COC1=CC(\C=C\CO)=CC=C1O

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InChI-Schlüssel JMFRWRFFLBVWSI-NSCUHMNNSA-N
PubChem CID 1549095
CAS 458-35-5
ChEBI CHEBI:17745
MDL-Nummer MFCD00002922
Molekulargewicht (g/mol) 180.20
SMILES COC1=CC(\C=C\CO)=CC=C1O
Synonym coniferyl alcohol,coniferol,coniferylalcohol,4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol,gamma-hydroxyisoeugenol,trans-coniferyl alcohol,e-coniferyl alcohol,4-3-hydroxy-1-propenyl-2-methoxyphenol,3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol,4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol
Summenformel Gehäuse C10H12O3
6
Sonderaktionen verfügbar

Doxorubicin hydrochloride

CAS: 25316-40-9 Summenformel: C27H30ClNO11 Molekulargewicht (g/mol): 579.98 MDL-Nummer: MFCD00077757,MFCD00077757,MFCD00941448 InChI-Schlüssel: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC-Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O

EDGE
InChI-Schlüssel MWWSFMDVAYGXBV-FGBJBKNOSA-N
IUPAC-Name hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride
PubChem CID 129626538
CAS 25316-40-9
MDL-Nummer MFCD00077757,MFCD00077757,MFCD00941448
Molekulargewicht (g/mol) 579.98
SMILES [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
Synonym doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
Summenformel C27H30ClNO11
7

4-Methylumbelliferon, 97 %, Thermo Scientific Chemicals

CAS: 90-33-5 Summenformel: C10H8O3 Molekulargewicht (g/mol): 176.17 MDL-Nummer: MFCD00006866 InChI-Schlüssel: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC-Name: 7-Hydroxy-4-Methylchromen-2-on SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12

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InChI-Schlüssel HSHNITRMYYLLCV-UHFFFAOYSA-N
IUPAC-Name 7-Hydroxy-4-Methylchromen-2-on
PubChem CID 5280567
CAS 90-33-5
ChEBI CHEBI:17224
MDL-Nummer MFCD00006866
Molekulargewicht (g/mol) 176.17
SMILES CC1=CC(=O)OC2=CC(O)=CC=C12
Synonym 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic
Summenformel C10H8O3
8

Scopoletin, 95 %, Thermo Scientific Chemicals

CAS: 92-61-5 Summenformel: C10H8O4 Molekulargewicht (g/mol): 192.17 MDL-Nummer: MFCD00006872 InChI-Schlüssel: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC-Name: 7-Hydroxy-6-methoxychromen-2-on SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

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InChI-Schlüssel RODXRVNMMDRFIK-UHFFFAOYSA-N
IUPAC-Name 7-Hydroxy-6-methoxychromen-2-on
PubChem CID 5280460
CAS 92-61-5
ChEBI CHEBI:17488
MDL-Nummer MFCD00006872
Molekulargewicht (g/mol) 192.17
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
Summenformel C10H8O4
9

4',5,7-Trihydroxyflavon, 97 %, Thermo Scientific Chemicals

CAS: 520-36-5 Summenformel: C15H10O5 Molekulargewicht (g/mol): 270.24 MDL-Nummer: MFCD00006831 InChI-Schlüssel: KZNIFHPLKGYRTM-UHFFFAOYSA-N Synonym: apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone PubChem CID: 5280443 ChEBI: CHEBI:18388 IUPAC-Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-on SMILES: OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

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InChI-Schlüssel KZNIFHPLKGYRTM-UHFFFAOYSA-N
IUPAC-Name 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-on
PubChem CID 5280443
CAS 520-36-5
ChEBI CHEBI:18388
MDL-Nummer MFCD00006831
Molekulargewicht (g/mol) 270.24
SMILES OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
Synonym apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone
Summenformel C15H10O5
10

Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyd, 98 %

CAS: 6203-18-5 Summenformel: C11H13NO Molekulargewicht (g/mol): 175.23 MDL-Nummer: MFCD00007002 InChI-Schlüssel: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC-Name: (E)-3-[4-(Dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

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InChI-Schlüssel RUKJCCIJLIMGEP-ONEGZZNKSA-N
IUPAC-Name (E)-3-[4-(Dimethylamino)phenyl]prop-2-enal
PubChem CID 5284506
CAS 6203-18-5
MDL-Nummer MFCD00007002
Molekulargewicht (g/mol) 175.23
SMILES CN(C)C1=CC=C(C=C1)C=CC=O
Synonym 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
Summenformel C11H13NO
11

Trans-Zimtaldehyd, ≥98 %, Thermo Scientific Chemicals

CAS: 14371-10-9 Summenformel: C9H8O Molekulargewicht (g/mol): 132.16 MDL-Nummer: MFCD00007000 InChI-Schlüssel: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

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InChI-Schlüssel KJPRLNWUNMBNBZ-QPJJXVBHSA-N
PubChem CID 637511
CAS 14371-10-9
ChEBI CHEBI:16731
MDL-Nummer MFCD00007000
Molekulargewicht (g/mol) 132.16
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
Summenformel C9H8O
12

Paraffin, flüssig, rein, Thermo Scientific Chemicals

CAS: 8012-95-1 Summenformel: MFCD00131611 Molekulargewicht (g/mol): 0.00 MDL-Nummer: MFCD00131611 InChI-Schlüssel: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC-Name: 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid SMILES: *

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InChI-Schlüssel FFNDMZIBVDSQFI-UHFFFAOYSA-N
IUPAC-Name 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol; Chlorid
PubChem CID 68245
CAS 8012-95-1
ChEBI CHEBI:38701
MDL-Nummer MFCD00131611
Molekulargewicht (g/mol) 0.00
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
Summenformel MFCD00131611
13

4-Hydroxybenzylidenaceton, 97 %, Thermo Scientific Chemicals

CAS: 3160-35-8 Summenformel: C10H10O2 Molekulargewicht (g/mol): 162.19 MDL-Nummer: MFCD00016490 InChI-Schlüssel: OCNIKEFATSKIBE-NSCUHMNNSA-N Synonym: p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl PubChem CID: 796857 SMILES: CC(=O)\C=C\C1=CC=C(O)C=C1

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InChI-Schlüssel OCNIKEFATSKIBE-NSCUHMNNSA-N
PubChem CID 796857
CAS 3160-35-8
MDL-Nummer MFCD00016490
Molekulargewicht (g/mol) 162.19
SMILES CC(=O)\C=C\C1=CC=C(O)C=C1
Synonym p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl
Summenformel C10H10O2
14

Curcumin, 95 % (Gesamtgehalt an Curcuminoiden), aus Kurkumarhizom, Thermo Scientific Chemicals

CAS: 458-37-7 Summenformel: C21H20O6 Molekulargewicht (g/mol): 368.39 MDL-Nummer: MFCD00008365 InChI-Schlüssel: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC-Name: (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-dien-3,5-dion SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

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InChI-Schlüssel ZIUSSTSXXLLKKK-KOBPDPAPSA-N
IUPAC-Name (1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-dien-3,5-dion
PubChem CID 969516
CAS 458-37-7
ChEBI CHEBI:3962
MDL-Nummer MFCD00008365
Molekulargewicht (g/mol) 368.39
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
Summenformel C21H20O6
15

Thermo Scientific Chemicals Curcumin ≥ 98 %

CAS: 458-37-7 Summenformel: C21H20O6 Molekulargewicht (g/mol): 368.39 MDL-Nummer: MFCD00008365 InChI-Schlüssel: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

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InChI-Schlüssel ZIUSSTSXXLLKKK-KOBPDPAPSA-N
PubChem CID 969516
CAS 458-37-7
ChEBI CHEBI:3962
MDL-Nummer MFCD00008365
Molekulargewicht (g/mol) 368.39
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
Summenformel C21H20O6