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CHEBI:217919 - Bipolarenic acid

ChEBI IDCHEBI:217919
ChEBI NameBipolarenic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESC/C1=C/C[C@]2(C)C(=O)O[C@@H](O)[C@H](C(C)C)[C@H]2C/C=C(/C(=O)O)C2=C(CC1)[C@@H](C)CC2
InChIInChI=1S/C25H36O5/c1-14(2)21-20-11-10-19(22(26)27)18-9-7-16(4)17(18)8-6-15(3)12-13-25(20,5)24(29)30-23(21)28/h10,12,14,16,20-21,23,28H,6-9,11,13H2,1-5H3,(H,26,27)/b15-12-,19-10+/t16-,20+,21+,23+,25-/m0/s1
InChIKeyRCRCHROCRHFZHP-PZKIPFTCSA-N
Species of MetaboliteComponentSourceComments
Lophiostoma (ncbitaxon:45148) - PubMed (26582262)
ChEBI Ontology
Outgoing Relation(s)
Bipolarenic acid (CHEBI:217919) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3E,8S,12Z,15S,18R,19R)-18-hydroxy-8,12,15-trimethyl-16-oxo-19-propan-2-yl-17-oxatricyclo[13.4.0.05,9]nonadeca-3,5(9),12-triene-4-carboxylic acid
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44210991ChemSpider