Licopyranocoumarin (CHEBI:175896)

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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	Licopyranocoumarin

ChEBI ID	CHEBI:175896

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

Submitter	MetaboLights

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Formula

C21H20O7

Net Charge

Average Mass

384.384

Monoisotopic Mass

384.12090

InChI

InChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3

InChIKey

MOBCUWLJOZHPQL-UHFFFAOYSA-N

SMILES

O1C(CCC2=C1C=C3OC(=O)C(=CC3=C2OC)C4=C(O)C=C(O)C=C4)(CO)C

ChEBI Ontology
Outgoing	Licopyranocoumarin (CHEBI:175896) is a isoflavonoid (CHEBI:50753) Licopyranocoumarin (CHEBI:175896) is a organic hydroxy compound (CHEBI:33822)

IUPAC Name

7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one

Registry Number	Type	Source
117038-80-9	CAS Registry Number	ChemIDplus