Inonotusol F (CHEBI:204951)

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CHEBI:204951 - Inonotusol F

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ChEBI ID	CHEBI:204951
ChEBI Name	Inonotusol F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H48O3
Net Charge	0
Average Mass	468.722
Monoisotopic Mass	468.36035
SMILES	CC(C)=C(C)[C@H]1CC(C2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)C(=O)O1
InChI	InChI=1S/C31H48O3/c1-18(2)19(3)24-17-20(27(33)34-24)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h20-21,24-26,32H,9-17H2,1-8H3/t20?,21?,24-,25+,26+,29-,30-,31+/m1/s1
InChIKey	QNIOIQFWRJSVOW-XBMCVYNJSA-N

Species of Metabolite	Component	Source	Comments
Inonotus obliquus (ncbitaxon:167356)	-	PubMed (24359303)

ChEBI Ontology

Outgoing Relation(s)
	Inonotusol F (CHEBI:204951) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78441031	ChemSpider