Fomitellic acid B (CHEBI:212270)

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CHEBI:212270 - Fomitellic acid B

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ChEBI ID	CHEBI:212270
ChEBI Name	Fomitellic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O5
Net Charge	0
Average Mass	486.693
Monoisotopic Mass	486.33452
SMILES	CC(C)=CCCC(C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@@H](O)C(C)(C(=O)O)[C@@H]1CC3=O
InChI	InChI=1S/C30H46O5/c1-17(2)9-8-10-18(3)19-11-14-28(5)25-20(12-13-27(19,28)4)29(6)22(15-21(25)31)30(7,26(34)35)24(33)16-23(29)32/h9,18-19,22-24,32-33H,8,10-16H2,1-7H3,(H,34,35)/t18?,19-,22-,23-,24-,27-,28+,29-,30?/m1/s1
InChIKey	AKQVSWCZIQYIJI-WFOSYQLHSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Fomitellic acid B (CHEBI:212270) is a triterpenoid (CHEBI:36615)

IUPAC Name
(1R,3R,5R,10S,13R,14R,17R)-1,3-dihydroxy-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
8249695	ChemSpider