Cajaisoflavone (CHEBI:176138)

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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	Cajaisoflavone

ChEBI ID	CHEBI:176138

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H26O7

Net Charge

Average Mass

450.487

Monoisotopic Mass

450.16785

InChI

InChI=1S/C26H26O7/c1-13(2)6-7-14-17(27)10-19(31-5)21(23(14)28)16-12-32-20-11-18-15(8-9-26(3,4)33-18)24(29)22(20)25(16)30/h6,8-12,27-29H,7H2,1-5H3

InChIKey

ZCGBVHBPKBFGFW-UHFFFAOYSA-N

SMILES

O1C(C=CC2=C1C=C3OC=C(C(=O)C3=C2O)C=4C(O)=C(CC=C(C)C)C(O)=CC4OC)(C)C

ChEBI Ontology
Outgoing	Cajaisoflavone (CHEBI:176138) is a isoflavanones (CHEBI:38741)

IUPAC Name

7-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one