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CHEBI:168219 - Amorphaquinone

ChEBI IDCHEBI:168219
ChEBI NameAmorphaquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCOC1=C(OC)C(=O)C(C2COc3c(ccc(O)c3OC)C2)=CC1=O
InChIInChI=1S/C18H18O7/c1-22-16-12(19)5-4-9-6-10(8-25-15(9)16)11-7-13(20)17(23-2)18(24-3)14(11)21/h4-5,7,10,19H,6,8H2,1-3H3
InChIKeyPMGNYGMMSWPZPE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Amorphaquinone (CHEBI:168219) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
LMPK12080054LIPID MAPS
8580769ChemSpider