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CHEBI:3685 - Chryso-obtusin glucoside

ChEBI IDCHEBI:3685
ChEBI NameChryso-obtusin glucoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H28O12
Net Charge0
Average Mass520.487
Monoisotopic Mass520.15808
SMILESCOc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)C2=O
InChIInChI=1S/C25H28O12/c1-9-6-10-14(18(29)15-11(16(10)27)7-12(32-2)22(33-3)24(15)35-5)23(34-4)21(9)37-25-20(31)19(30)17(28)13(8-26)36-25/h6-7,13,17,19-20,25-26,28,30-31H,8H2,1-5H3/t13-,17-,19+,20-,25+/m1/s1
InChIKeyQBFJCZWBSLFTEE-UWBHIVAPSA-N
ChEBI Ontology
Outgoing Relation(s)
Chryso-obtusin glucoside (CHEBI:3685) is a anthraquinone (CHEBI:22580)
Synonym  Source
Chryso-obtusin glucosideKEGG COMPOUND
Manual XrefsDatabases
C10313KEGG COMPOUND
C00002805KNApSAcK
Registry NumbersSources
CAS:96820-54-1KEGG COMPOUND