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CHEBI:176058 - (1'x,2S)-2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 2'-glucoside

ChEBI IDCHEBI:176058
ChEBI Name(1'x,2S)-2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 2'-glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O10
Net Charge0
Average Mass424.402
Monoisotopic Mass424.13695
SMILESCC(O)(COC1OC(CO)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C20H24O10/c1-20(26,8-27-19-18(25)17(24)16(23)13(7-21)30-19)14-5-10-4-9-2-3-15(22)29-11(9)6-12(10)28-14/h2-4,6,13-14,16-19,21,23-26H,5,7-8H2,1H3
InChIKeyLCIXUGGPLIEEGU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(1'x,2S)-2-(1,2-Dihydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one 2'-glucoside (CHEBI:176058) is a psoralens (CHEBI:26369)
IUPAC Name 
2-[2-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0039038HMDB