Neoplathymenin (CHEBI:168738)

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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	Neoplathymenin

ChEBI ID	CHEBI:168738

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H12O6

Net Charge

Average Mass

288.255

Monoisotopic Mass

288.06339

InChI

InChI=1S/C15H12O6/c16-10(9-6-14(20)15(21)7-12(9)18)3-1-8-2-4-11(17)13(19)5-8/h1-7,17-21H/b3-1+

InChIKey

AMYJBIWKBSTSMQ-HNQUOIGGSA-N

SMILES

OC=1C(=CC(O)=C(O)C1)C(=O)\C=C\C2=CC(O)=C(O)C=C2

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	Neoplathymenin (CHEBI:168738) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-3-(3,4-dihydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)prop-2-en-1-one