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CHEBI:178562 - Calophyllic acid

ChEBI IDCHEBI:178562
ChEBI NameCalophyllic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O6
Net Charge0
Average Mass420.461
Monoisotopic Mass420.15729
SMILESCC1Oc2c3c(c(/C(=C\C(=O)O)c4ccccc4)c(O)c2C(=O)C1C)OC(C)(C)C=C3
InChIInChI=1S/C25H24O6/c1-13-14(2)30-23-16-10-11-25(3,4)31-24(16)19(22(29)20(23)21(13)28)17(12-18(26)27)15-8-6-5-7-9-15/h5-14,29H,1-4H3,(H,26,27)/b17-12-
InChIKeySSJOJPHKKKSPGS-ATVHPVEESA-N
ChEBI Ontology
Outgoing Relation(s)
Calophyllic acid (CHEBI:178562) is a chromenes (CHEBI:23232)
IUPAC Name 
(Z)-3-(5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl)-3-phenylprop-2-enoic acid
Manual XrefsDatabases
24843153ChemSpider
LMPK12100082LIPID MAPS