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CHEBI:199000 - Fomitopsic acid B

Default Structure
ChEBI IDCHEBI:199000
ChEBI NameFomitopsic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O5
Net Charge0
Average Mass524.742
Monoisotopic Mass524.35017
SMILESCC(C)=CCC[C@@H](COC(=O)CC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C33H48O5/c1-21(2)9-8-10-22(20-38-29(37)19-28(35)36)23-13-17-33(7)25-11-12-26-30(3,4)27(34)15-16-31(26,5)24(25)14-18-32(23,33)6/h9,11,14,22-23,26H,8,10,12-13,15-20H2,1-7H3,(H,35,36)/t22-,23+,26-,31+,32+,33-/m0/s1
InChIKeySXYOHWHWZQDZED-YAIYFESBSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - DOI (10.1016/s0031-9422(99)00349-0)
ChEBI Ontology
Outgoing Relation(s)
Fomitopsic acid B (CHEBI:199000) is a triterpenoid (CHEBI:36615)
IUPAC Name 
3-[(2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoxy]-3-oxopropanoic acid
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