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CHEBI:176054 - Leptophylloside

ChEBI IDCHEBI:176054
ChEBI NameLeptophylloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O10
Net Charge0
Average Mass424.402
Monoisotopic Mass424.13695
SMILES[H][C@]1(C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Cc2cc3ccc(=O)oc3c(O)c2O1
InChIInChI=1S/C20H24O10/c1-20(2,30-19-15(25)14(24)13(23)10(7-21)27-19)11-6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)28-11/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11-,13-,14+,15-,19+/m1/s1
InChIKeyQZUDEXAHKXCIDG-NUUDRHLNSA-N
ChEBI Ontology
Outgoing Relation(s)
Leptophylloside (CHEBI:176054) is a psoralens (CHEBI:26369)
IUPAC Name 
(2R)-9-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
161478ChemSpider
Registry NumbersSources
CAS:53846-51-8ChemIDplus