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CHEBI:206818 - Pinicolic acid F

Default Structure
ChEBI IDCHEBI:206818
ChEBI NamePinicolic acid F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O6
Net Charge0
Average Mass502.692
Monoisotopic Mass502.32944
SMILESCC(C)(O)CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=C[C@@H](O)[C@]12C
InChIInChI=1S/C30H46O6/c1-26(2,36)13-8-9-17(25(34)35)24-20(31)16-29(6)18-10-11-21-27(3,4)22(32)12-14-28(21,5)19(18)15-23(33)30(24,29)7/h10,15,17,20-21,23-24,31,33,36H,8-9,11-14,16H2,1-7H3,(H,34,35)/t17-,20-,21+,23-,24+,28-,29+,30-/m1/s1
InChIKeyWWSVEDAQZXBFPB-GSYMQPADSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Pinicolic acid F (CHEBI:206818) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(5R,10S,12R,13R,14S,16R,17R)-12,16-dihydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylheptanoic acid