Inonotin F (CHEBI:218369)

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CHEBI:218369 - Inonotin F

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ChEBI ID	CHEBI:218369
ChEBI Name	Inonotin F
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H24O3
Net Charge	0
Average Mass	252.354
Monoisotopic Mass	252.17254
SMILES	CC1(C)[C@@H]2[C@H]3[C@@H](CO)CC[C@H]3[C@](C)(O)C(=O)C[C@@H]21
InChI	InChI=1S/C15H24O3/c1-14(2)10-6-11(17)15(3,18)9-5-4-8(7-16)12(9)13(10)14/h8-10,12-13,16,18H,4-7H2,1-3H3/t8-,9-,10+,12+,13+,15+/m1/s1
InChIKey	ZPCGVXKRUWKILY-OJJZAMTBSA-N

Species of Metabolite	Component	Source	Comments
Inonotusspecies BCC 23706 (ncbitaxon:1617631)	-	PubMed (26307664)

ChEBI Ontology

Outgoing Relation(s)
	Inonotin F (CHEBI:218369) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1aS,4S,4aR,7S,7aS,7bR)-4-hydroxy-7-(hydroxymethyl)-1,1,4-trimethyl-1a,2,4a,5,6,7,7a,7b-octahydrocyclopropa[e]azulen-3-one

Manual Xrefs	Databases
78442048	ChemSpider