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CHEBI:206974 - Formipinic acid A

Default Structure
ChEBI IDCHEBI:206974
ChEBI NameFormipinic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O7
Net Charge0
Average Mass600.837
Monoisotopic Mass600.40260
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C36H56O7/c1-22(2)10-9-11-23(31(40)41)24-14-18-36(8)26-12-13-27-32(3,4)28(43-30(39)21-33(5,42)20-29(37)38)16-17-34(27,6)25(26)15-19-35(24,36)7/h10,23-24,27-28,42H,9,11-21H2,1-8H3,(H,37,38)(H,40,41)/t23-,24-,27+,28-,33+,34-,35-,36+/m1/s1
InChIKeyAMEUCOVFRJNTQC-AQTXQJTQSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis (ncbitaxon:34474) - PubMed (31469960)
ChEBI Ontology
Outgoing Relation(s)
Formipinic acid A (CHEBI:206974) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3R,5R,10S,13R,14R,17R)-3-[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]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