Calophyllic acid (CHEBI:178562)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Calophyllic acid

ChEBI ID	CHEBI:178562

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H24O6

Net Charge

Average Mass

420.461

Monoisotopic Mass

420.15729

InChI

InChI=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-

InChIKey

SSJOJPHKKKSPGS-ATVHPVEESA-N

SMILES

O1C(C(C(=O)C=2C1=C3C(OC(C=C3)(C)C)=C(C2O)/C(/C4=CC=CC=C4)=C\C(O)=O)C)C

ChEBI Ontology
Outgoing	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