Obliquol (CHEBI:209486)

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CHEBI:209486 - Obliquol

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ChEBI ID	CHEBI:209486
ChEBI Name	Obliquol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O2
Net Charge	0
Average Mass	442.728
Monoisotopic Mass	442.38108
SMILES	CC(C)=CCC[C@@H](C)C1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-17-29(7)22-12-13-24-27(4,5)25(31)15-16-28(24,6)23(22)18-26(32)30(21,29)8/h10,20-21,24-26,31-32H,9,11-18H2,1-8H3/t20-,21?,24+,25-,26-,28-,29+,30+/m1/s1
InChIKey	CSYGXJQNODZRQO-XFAWHCPVSA-N

Species of Metabolite	Component	Source	Comments
Poria (ncbitaxon:81051)	-	PubMed (13755862)

ChEBI Ontology

Outgoing Relation(s)
	Obliquol (CHEBI:209486) is a triterpenoid (CHEBI:36615)

IUPAC Name
(3R,5R,10S,12R,13R,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,12-diol

Manual Xrefs	Databases
78443566	ChemSpider