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CHEBI:190804 - 3,4,5-trihydroxy-6-{[3-hydroxy-4-({4-methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)-2-methylbutan-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190804
ChEBI Name3,4,5-trihydroxy-6-{[3-hydroxy-4-({4-methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)-2-methylbutan-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O13
Net Charge0
Average Mass510.448
Monoisotopic Mass510.13734
SMILESCOc1c2ccoc2c(OCC(O)C(C)(C)OC2OC(C(=O)O)C(O)C(O)C2O)c2oc(=O)ccc12
InChIInChI=1S/C23H26O13/c1-23(2,36-22-15(28)13(26)14(27)19(35-22)21(29)30)11(24)8-33-20-17-10(6-7-32-17)16(31-3)9-4-5-12(25)34-18(9)20/h4-7,11,13-15,19,22,24,26-28H,8H2,1-3H3,(H,29,30)
InChIKeyKDOXXTHMQQQVIG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-hydroxy-4-({4-methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl}oxy)-2-methylbutan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:190804) is a psoralens (CHEBI:26369)
IUPAC Name 
3,4,5-trihydroxy-6-[3-hydroxy-4-(4-methoxy-7-oxouro[3,2-g]chromen-9-yl)oxy-2-methylbutan-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130147HMDB