Fomitellic acid C (CHEBI:219940)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219940 - Fomitellic acid C

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:219940
ChEBI Name	Fomitellic acid C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H48O6
Net Charge	0
Average Mass	516.719
Monoisotopic Mass	516.34509
SMILES	CO[C@@H]1C[C@]2(C)[C@@H](C(C)CCC=C(C)C)CC[C@@]2(C)C2=C1[C@@]1(C)[C@H](O)C[C@H](O)C(C)(C(=O)O)[C@@H]1CC2=O
InChI	InChI=1S/C31H48O6/c1-17(2)10-9-11-18(3)19-12-13-28(4)25-20(32)14-22-30(6,26(25)21(37-8)16-29(19,28)5)23(33)15-24(34)31(22,7)27(35)36/h10,18-19,21-24,33-34H,9,11-16H2,1-8H3,(H,35,36)/t18?,19-,21-,22-,23-,24+,28+,29-,30-,31?/m1/s1
InChIKey	IDJOIVLQLLXEIY-IYYZIJEBSA-N

Species of Metabolite	Component	Source	Comments
Perenniporia fraxinea (ncbitaxon:1350006)	-	PubMed (9514006)

ChEBI Ontology

Outgoing Relation(s)
	Fomitellic acid C (CHEBI:219940) is a triterpenoid (CHEBI:36615)

IUPAC Name
(1R,3S,5R,10S,11R,13R,14R,17R)-1,3-dihydroxy-11-methoxy-4,10,13,14-tetramethyl-17-(6-methylhept-5-en-2-yl)-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-4-carboxylic acid

Manual Xrefs	Databases
8499722	ChemSpider