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CHEBI:167958 - Marmesin galactoside

ChEBI IDCHEBI:167958
ChEBI NameMarmesin galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O9
Net Charge0
Average Mass408.403
Monoisotopic Mass408.14203
SMILESCC(C)(OC1OC(CO)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C20H24O9/c1-20(2,29-19-18(25)17(24)16(23)13(8-21)28-19)14-6-10-5-9-3-4-15(22)27-11(9)7-12(10)26-14/h3-5,7,13-14,16-19,21,23-25H,6,8H2,1-2H3
InChIKeyHXCGUCZXPFBNRD-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)
Marmesin galactoside (CHEBI:167958) is a psoralens (CHEBI:26369)
IUPAC Name 
2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
531569ChemSpider
HMDB0041508HMDB