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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
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
ChEBI ID CHEBI:176058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24O10
Net Charge 0
Average Mass 424.402
Monoisotopic Mass 424.13695
InChI InChI=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
InChIKey LCIXUGGPLIEEGU-UHFFFAOYSA-N
SMILES O1C(OCC(O)(C2OC3=C(C2)C=C4C(OC(=O)C=C4)=C3)C)C(O)C(O)C(O)C1CO
ChEBI Ontology
Outgoing (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 Xref Database
HMDB0039038 HMDB
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