Melilotocarpan B (CHEBI:172519)

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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	Melilotocarpan B

ChEBI ID	CHEBI:172519

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

Submitter	MetaboLights

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C16H14O5

Net Charge

Average Mass

286.283

Monoisotopic Mass

286.08412

InChI

InChI=1S/C16H14O5/c1-19-12-5-4-10-15-11(7-20-16(10)14(12)18)9-3-2-8(17)6-13(9)21-15/h2-6,11,15,17-18H,7H2,1H3

InChIKey

QDFJNOVWEADTGJ-UHFFFAOYSA-N

SMILES

O1C2C(C3=C1C=C(O)C=C3)COC4=C2C=CC(OC)=C4O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	Melilotocarpan B (CHEBI:172519) is a pterocarpans (CHEBI:26377)

IUPAC Name

3-methoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-4,9-diol