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CHEBI:206994 - Formipiniate

Default Structure
ChEBI IDCHEBI:206994
ChEBI NameFormipiniate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H64O10
Net Charge0
Average Mass716.953
Monoisotopic Mass716.44995
SMILESCOC(=O)CC(=O)OC[C@H](CCC=C(C)C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C41H64O10/c1-25(2)12-11-13-26(24-50-34(44)21-33(43)48-9)29-20-31(42)41(8)28-14-15-30-37(3,4)32(51-36(46)23-38(5,47)22-35(45)49-10)17-18-39(30,6)27(28)16-19-40(29,41)7/h12,26,29-32,42,47H,11,13-24H2,1-10H3/t26-,29+,30-,31-,32+,38-,39+,40+,41+/m0/s1
InChIKeyGAXFAQGVGIADCV-DCPFWCGPSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis (ncbitaxon:34474) - PubMed (31469960)
ChEBI Ontology
Outgoing Relation(s)
Formipiniate (CHEBI:206994) is a triterpenoid (CHEBI:36615)
IUPAC Name 
1-O-[(3R,5R,10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-1-(3-methoxy-3-oxopropanoyl)oxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-O-methyl (3S)-3-hydroxy-3-methylpentanedioate