2,8-Dihydroxy-3,9,10-trimethoxypterocarpan (CHEBI:185835)

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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	2,8-Dihydroxy-3,9,10-trimethoxypterocarpan

ChEBI ID	CHEBI:185835

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O7

Net Charge

Average Mass

346.335

Monoisotopic Mass

346.10525

InChI

InChI=1S/C18H18O7/c1-21-14-6-13-9(5-11(14)19)15-10(7-24-13)8-4-12(20)17(22-2)18(23-3)16(8)25-15/h4-6,10,15,19-20H,7H2,1-3H3

InChIKey

RJKDCHOJONROOJ-UHFFFAOYSA-N

SMILES

O1C2C(C=3C1=C(OC)C(OC)=C(O)C3)COC=4C2=CC(O)=C(OC)C4

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	2,8-Dihydroxy-3,9,10-trimethoxypterocarpan (CHEBI:185835) is a pterocarpans (CHEBI:26377)

IUPAC Name

3,9,10-trimethoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-2,8-diol