rel-(3aR,4S,6aS,7R,9aR,10aS)-10a-Hydroxy-7-isopropyl-1,4,9a-trimethyl-4,5,6,6a,7,8,9,9a,10,10a-decahydro-3aH-dicyclopenta[a,d]cycloocten-3-one (CHEBI:67828)

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CHEBI:67828 - rel-(3aR,4S,6aS,7R,9aR,10aS)-10a-Hydroxy-7-isopropyl-1,4,9a-trimethyl-4,5,6,6a,7,8,9,9a,10,10a-decahydro-3aH-dicyclopenta[a,d]cycloocten-3-one

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ChEBI ID	CHEBI:67828
ChEBI Name	rel-(3aR,4S,6aS,7R,9aR,10aS)-10a-Hydroxy-7-isopropyl-1,4,9a-trimethyl-4,5,6,6a,7,8,9,9a,10,10a-decahydro-3aH-dicyclopenta[a,d]cycloocten-3-one
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Definition	A natural product found in Porella chilensis.
Last Modified	22 September 2014
Downloads	Molfile

Formula	C20H32O2
Net Charge	0
Average Mass	304.474
Monoisotopic Mass	304.24023
SMILES	[H][C@@]12CC[C@H](C)[C@@]3([H])C(=O)C=C(C)[C@]3(O)C[C@@]1(C)CC[C@@H]2C(C)C
InChI	InChI=1S/C20H32O2/c1-12(2)15-8-9-19(5)11-20(22)14(4)10-17(21)18(20)13(3)6-7-16(15)19/h10,12-13,15-16,18,22H,6-9,11H2,1-5H3/t13-,15+,16-,18-,19+,20+/m0/s1
InChIKey	DJXIIUFLBYBOFZ-IKSQAYNDSA-N

Species of Metabolite	Component	Source	Comments
Porella chilensis (ncbitaxon:462342)	-	PubMed (21384863)	The air-dried plant material was extracted with diethyl ether and then with methanol

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)
	rel-(3aR,4S,6aS,7R,9aR,10aS)-10a-Hydroxy-7-isopropyl-1,4,9a-trimethyl-4,5,6,6a,7,8,9,9a,10,10a-decahydro-3aH-dicyclopenta[a,d]cycloocten-3-one (CHEBI:67828) has role metabolite (CHEBI:25212)
	rel-(3aR,4S,6aS,7R,9aR,10aS)-10a-Hydroxy-7-isopropyl-1,4,9a-trimethyl-4,5,6,6a,7,8,9,9a,10,10a-decahydro-3aH-dicyclopenta[a,d]cycloocten-3-one (CHEBI:67828) is a sesquiterpenoid (CHEBI:26658)

Citations