(2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid (CHEBI:201033)

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CHEBI:201033 - (2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid

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ChEBI ID	CHEBI:201033
ChEBI Name	(2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H34O5
Net Charge	0
Average Mass	414.542
Monoisotopic Mass	414.24062
SMILES	CC1=C[C@H]2C[C@H](C)[C@@H](O)[C@H](C)[C@H]2[C@H](/C=C(C)/C=C(C)/C=C/C(=O)O)/C1=C\C(=O)CO
InChI	InChI=1S/C25H34O5/c1-14(6-7-23(28)29)8-15(2)9-22-21(12-20(27)13-26)16(3)10-19-11-17(4)25(30)18(5)24(19)22/h6-10,12,17-19,22,24-26,30H,11,13H2,1-5H3,(H,28,29)/b7-6+,14-8+,15-9+,21-12-/t17-,18+,19-,22+,24+,25+/m0/s1
InChIKey	OQJAHXQKGGHDPO-IGHWRCALSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies (ncbitaxon:5081)	-	PubMed (10479323)

ChEBI Ontology

Outgoing Relation(s)
	(2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid (CHEBI:201033) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2E,4E,6E)-7-[(1R,2E,4aS,6S,7R,8R,8aR)-7-hydroxy-2-(3-hydroxy-2-oxopropylidene)-3,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid

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8963267	ChemSpider