Inotodiol (CHEBI:199329)

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CHEBI:199329 - Inotodiol

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ChEBI ID	CHEBI:199329
ChEBI Name	Inotodiol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O2
Net Charge	0
Average Mass	442.728
Monoisotopic Mass	442.38108
SMILES	CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25-,26-,28+,29+,30-/m0/s1
InChIKey	KKWJCGCIAHLFNE-KFPHZHIMSA-N

Species of Metabolite	Component	Source	Comments
Inonotus obliquus (ncbitaxon:167356)	-	DOI (10.1016/s0040-4020(01)93570-7)

ChEBI Ontology

Outgoing Relation(s)
	Inotodiol (CHEBI:199329) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
23282401	ChemSpider