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CHEBI:206980 - Formipinic acid B

Default Structure
ChEBI IDCHEBI:206980
ChEBI NameFormipinic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O8
Net Charge0
Average Mass630.863
Monoisotopic Mass630.41317
SMILESCOC(=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](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3
InChIInChI=1S/C37H58O8/c1-22(2)11-10-12-23(32(41)42)26-19-28(38)37(8)25-13-14-27-33(3,4)29(45-31(40)21-34(5,43)20-30(39)44-9)16-17-35(27,6)24(25)15-18-36(26,37)7/h11,23,26-29,38,43H,10,12-21H2,1-9H3,(H,41,42)/t23-,26-,27+,28+,29-,34+,35-,36-,37-/m1/s1
InChIKeyMKACABJIGZVQOK-ADELDBEGSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis (ncbitaxon:34474) - PubMed (31469960)
ChEBI Ontology
Outgoing Relation(s)
Formipinic acid B (CHEBI:206980) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-3-[(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid