Licocoumarin A (CHEBI:175257)

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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	Licocoumarin A

ChEBI ID	CHEBI:175257

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H26O5

Net Charge

Average Mass

406.478

Monoisotopic Mass

406.17802

InChI

InChI=1S/C25H26O5/c1-14(2)5-8-18-21(26)12-10-17(23(18)28)20-13-16-7-11-22(27)19(9-6-15(3)4)24(16)30-25(20)29/h5-7,10-13,26-28H,8-9H2,1-4H3

InChIKey

UAGJZOLUSRCDEP-UHFFFAOYSA-N

SMILES

O1C2=C(C=C(C3=C(O)C(CC=C(C)C)=C(O)C=C3)C1=O)C=CC(O)=C2CC=C(C)C

ChEBI Ontology
Outgoing	Licocoumarin A (CHEBI:175257) is a isoflavonoid (CHEBI:50753) Licocoumarin A (CHEBI:175257) is a organic hydroxy compound (CHEBI:33822)

IUPAC Name

3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one