2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol (CHEBI:69279)

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CHEBI:69279 - 2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol

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ChEBI ID	CHEBI:69279
ChEBI Name	2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol
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Definition	A natural product found in Coscinoderma species.
Last Modified	22 September 2014
Downloads	Molfile

Formula	C31H46O2
Net Charge	0
Average Mass	450.707
Monoisotopic Mass	450.34978
SMILES	[H][C@@]12CC=C(C)[C@H](C/C=C(\C)CCC/C(C)=C/Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C
InChI	InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12+/t27-,29-,31+/m0/s1
InChIKey	FBBXOWQBMFRXRO-PGGDNBTOSA-N

Species of Metabolite	Component	Source	Comments
Coscinoderma (ncbitaxon:1162776)	-	PubMed (21827183)	Methanol and methylene dichloride extract of lyophilized and macerated sponge

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol (CHEBI:69279) has role metabolite (CHEBI:25212)
	2-((2E,7E)-3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol (CHEBI:69279) is a sesterterpenoid (CHEBI:26660)

Citations