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

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ChEBI Name 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 ID CHEBI:193454
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H22O10
Net Charge 0
Average Mass 422.386
Monoisotopic Mass 422.12130
InChI InChI=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)
InChIKey NHSRXYPXIZGWMX-UHFFFAOYSA-N
SMILES O(C(C1OC2=C(C1)C=C3C(OC(=O)C=C3)=C2)(C)C)C4OC(C(O)C(O)C4O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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