2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan (CHEBI:166607)

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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	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan

ChEBI ID	CHEBI:166607

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

Submitter	MetaboLights

Supplier Information

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Formula

C18H12O8

Net Charge

Average Mass

356.286

Monoisotopic Mass

356.05322

InChI

InChI=1S/C18H12O8/c1-21-12-5-11-14(17(22-2)15(12)19)16-13(18(20)26-11)7-3-9-10(24-6-23-9)4-8(7)25-16/h3-5,19H,6H2,1-2H3

InChIKey

POCRQIUFZUZJBZ-UHFFFAOYSA-N

SMILES

O1C2=C(C=3C1=CC=4OCOC4C3)C(OC=5C2=C(OC)C(O)=C(OC)C5)=O

ChEBI Ontology
Outgoing	2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan (CHEBI:166607) is a coumestans (CHEBI:72577)

IUPAC Name

15-hydroxy-14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one