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CHEBI:176219 - Isoswertisin 4'-glucoside

ChEBI IDCHEBI:176219
ChEBI NameIsoswertisin 4'-glucoside
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FormulaC28H32O15
Net Charge0
Average Mass608.549
Monoisotopic Mass608.17412
SMILESCOc1cc(O)c2c(=O)cc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)oc2c1C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3
InChIKeyZCDDNVDFOHBRBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoswertisin 4'-glucoside (CHEBI:176219) is a flavonoids (CHEBI:72544)
Isoswertisin 4'-glucoside (CHEBI:176219) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
HMDB0037416HMDB