Versisponic acid B (CHEBI:213359)

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CHEBI:213359 - Versisponic acid B

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ChEBI ID	CHEBI:213359
ChEBI Name	Versisponic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H48O5
Net Charge	0
Average Mass	512.731
Monoisotopic Mass	512.35017
SMILES	CC(=O)O[C@H]1C[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]2(C)CCC3=C(CCC4C(C)(C)C(=O)CC[C@]34C)[C@]12C
InChI	InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)24-18-27(37-20(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h10,21,24-25,27H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25?,27+,30-,31-,32-/m1/s1
InChIKey	HCXLVDDYDMZZOT-ZWFYGQIMSA-N

Species of Metabolite	Component	Source	Comments
Laetiporus versisporus (ncbitaxon:447507)	-	PubMed (11045442)

ChEBI Ontology

Outgoing Relation(s)
	Versisponic acid B (CHEBI:213359) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R)-2-[(10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid

Manual Xrefs	Databases
78437488	ChemSpider