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CHEBI:216039 - Ceanphytamic acid A

Default Structure
ChEBI IDCHEBI:216039
ChEBI NameCeanphytamic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O6
Net Charge0
Average Mass530.746
Monoisotopic Mass530.36074
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)C[C@@H](O)[C@H]([C@@H](C/C=C/C(C)(C)O)C(=O)O)[C@@]1(C)CC3
InChIInChI=1S/C32H50O6/c1-19(33)38-25-14-16-30(6)21-13-17-31(7)26(20(27(35)36)10-9-15-28(2,3)37)23(34)18-32(31,8)22(21)11-12-24(30)29(25,4)5/h9,15,20,23-26,34,37H,10-14,16-18H2,1-8H3,(H,35,36)/b15-9+/t20-,23-,24+,25+,26+,30-,31-,32+/m1/s1
InChIKeyDPZWPKDORBUKOG-LGKGTUNVSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (30274339)
ChEBI Ontology
Outgoing Relation(s)
Ceanphytamic acid A (CHEBI:216039) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylhept-4-enoic acid