Spiroinonotsuoxodiol (CHEBI:212997)

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CHEBI:212997 - Spiroinonotsuoxodiol

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ChEBI ID	CHEBI:212997
ChEBI Name	Spiroinonotsuoxodiol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O3
Net Charge	0
Average Mass	458.727
Monoisotopic Mass	458.37600
SMILES	CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C(=O)[C@@]3(CC[C@]12C)[C@@H](O)C[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C
InChI	InChI=1S/C30H50O3/c1-19(2)10-9-11-20(3)21-12-14-29(8)25(33)30(17-16-27(21,29)6)24(32)18-22-26(4,5)23(31)13-15-28(22,30)7/h10,20-24,31-32H,9,11-18H2,1-8H3/t20-,21-,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey	CRIPBGQVLWFPPG-VUFDTFQMSA-N

Species of Metabolite	Component	Source	Comments
Inonotus obliquus (ncbitaxon:167356)	-	PubMed (20691456)

ChEBI Ontology

Outgoing Relation(s)
	Spiroinonotsuoxodiol (CHEBI:212997) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1'R,2S,3R,3aS,3'aR,6S,7aR,7'aR)-2,6-dihydroxy-3a,3'a,7,7,7'a-pentamethyl-1'-[(2R)-6-methylhept-5-en-2-yl]spiro[1,2,4,5,6,7a-hexahydroindene-3,5'-2,3,6,7-tetrahydro-1H-indene]-4'-one

Manual Xrefs	Databases
78438024	ChemSpider