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CHEBI:168171 - Marmesin rhamnoside

ChEBI IDCHEBI:168171
ChEBI NameMarmesin rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O8
Net Charge0
Average Mass392.404
Monoisotopic Mass392.14712
SMILESCC1OC(OC(C)(C)C2Cc3cc4ccc(=O)oc4cc3O2)C(O)C(O)C1O
InChIInChI=1S/C20H24O8/c1-9-16(22)17(23)18(24)19(25-9)28-20(2,3)14-7-11-6-10-4-5-15(21)27-12(10)8-13(11)26-14/h4-6,8-9,14,16-19,22-24H,7H2,1-3H3
InChIKeyHOSJGHRJSDQCPE-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 rhamnoside (CHEBI:168171) is a psoralens (CHEBI:26369)
IUPAC Name 
2-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0039564HMDB