Monomethylphylodulcin (CHEBI:181293)

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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	Monomethylphylodulcin

ChEBI ID	CHEBI:181293

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H16O5

Net Charge

Average Mass

300.310

Monoisotopic Mass

300.09977

InChI

InChI=1S/C17H16O5/c1-20-13-7-6-10(8-15(13)21-2)14-9-11-4-3-5-12(18)16(11)17(19)22-14/h3-8,14,18H,9H2,1-2H3/t14-/m1/s1

InChIKey

WKNXOKHAEDTQCX-CQSZACIVSA-N

SMILES

O1[C@H](CC2=C(C1=O)C(O)=CC=C2)C3=CC(OC)=C(OC)C=C3

ChEBI Ontology
Outgoing	Monomethylphylodulcin (CHEBI:181293) is a dimethoxybenzene (CHEBI:51681)

IUPAC Name

(3R)-3-(3,4-dimethoxyphenyl)-8-hydroxy-3,4-dihydroisochromen-1-one