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CHEBI:193454 - 3,4,5-trihydroxy-6-[(2-{7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:193454
ChEBI Name3,4,5-trihydroxy-6-[(2-{7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O10
Net Charge0
Average Mass422.386
Monoisotopic Mass422.12130
SMILESCC(C)(OC1OC(C(=O)O)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C20H22O10/c1-20(2,30-19-16(24)14(22)15(23)17(29-19)18(25)26)12-6-9-5-8-3-4-13(21)28-10(8)7-11(9)27-12/h3-5,7,12,14-17,19,22-24H,6H2,1-2H3,(H,25,26)
InChIKeyNHSRXYPXIZGWMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[(2-{7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propan-2-yl)oxy]oxane-2-carboxylic acid (CHEBI:193454) is a psoralens (CHEBI:26369)
IUPAC Name 
3,4,5-trihydroxy-6-[2-(7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl)propan-2-yloxy]oxane-2-carboxylic acid