Formipinol (CHEBI:206988)

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CHEBI:206988 - Formipinol

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ChEBI ID	CHEBI:206988
ChEBI Name	Formipinol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H60O7
Net Charge	0
Average Mass	616.880
Monoisotopic Mass	616.43390
SMILES	COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](CO)CCC=C(C)C)[C@@]1(C)CC3
InChI	InChI=1S/C37H60O7/c1-23(2)11-10-12-24(22-38)27-19-29(39)37(8)26-13-14-28-33(3,4)30(44-32(41)21-34(5,42)20-31(40)43-9)16-17-35(28,6)25(26)15-18-36(27,37)7/h11,24,27-30,38-39,42H,10,12-22H2,1-9H3/t24-,27+,28-,29-,30+,34-,35+,36+,37+/m0/s1
InChIKey	CHLVGVZUMKSZKD-VZLXLCGUSA-N

Species of Metabolite	Component	Source	Comments
Fomitopsis (ncbitaxon:34474)	-	PubMed (31469960)

ChEBI Ontology

Outgoing Relation(s)
	Formipinol (CHEBI:206988) is a triterpenoid (CHEBI:36615)

IUPAC Name
1-O-[(3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-1-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-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate