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CHEBI:7716 - Obtusifolin 2-glucoside

ChEBI IDCHEBI:7716
ChEBI NameObtusifolin 2-glucoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H22O10
Net Charge0
Average Mass446.408
Monoisotopic Mass446.12130
SMILESCOc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)cc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C22H22O10/c1-8-6-10-14(17(27)13-9(15(10)25)4-3-5-11(13)24)21(30-2)20(8)32-22-19(29)18(28)16(26)12(7-23)31-22/h3-6,12,16,18-19,22-24,26,28-29H,7H2,1-2H3/t12-,16-,18+,19-,22+/m1/s1
InChIKeyJMDQOFZFOJHOMU-UJPYTVAASA-N
ChEBI Ontology
Outgoing Relation(s)
Obtusifolin 2-glucoside (CHEBI:7716) is a anthraquinone (CHEBI:22580)
Synonym  Source
Obtusifolin 2-glucosideKEGG COMPOUND
Manual XrefsDatabases
C10381KEGG COMPOUND
C00002848KNApSAcK
Registry NumbersSources
CAS:120163-18-0KEGG COMPOUND