1-Methoxyphaseollin (CHEBI:173271)

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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	1-Methoxyphaseollin

ChEBI ID	CHEBI:173271

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

Submitter	MetaboLights

Supplier Information	eMolecules:1360357, ZINC000000538471

Download	Molfile XML SDF

Formula

C21H20O5

Net Charge

Average Mass

352.386

Monoisotopic Mass

352.13107

InChI

InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3

InChIKey

JQFXBCOZQHXLQX-UHFFFAOYSA-N

SMILES

O1C2C(C3=C1C4=C(OC(C=C4)(C)C)C=C3)COC5=C2C=CC(O)=C5OC

ChEBI Ontology
Outgoing	1-Methoxyphaseollin (CHEBI:173271) is a pterocarpans (CHEBI:26377)

IUPAC Name

6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol