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CHEBI:80740 - Glucofrangulin B

ChEBI IDCHEBI:80740
ChEBI NameGlucofrangulin B
Stars
Last Modified14 June 2016
DownloadsMolfile
FormulaC26H28O14
Net Charge0
Average Mass564.496
Monoisotopic Mass564.14791
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O[C@]3(O)COC[C@]3(O)CO)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
InChIInChI=1S/C26H28O14/c1-10-2-12-17(14(29)3-10)21(32)18-13(19(12)30)4-11(40-26(36)9-37-8-25(26,35)7-28)5-15(18)38-24-23(34)22(33)20(31)16(6-27)39-24/h2-5,16,20,22-24,27-29,31,33-36H,6-9H2,1H3/t16-,20-,22+,23-,24-,25-,26-/m1/s1
InChIKeySOAOUDVXSAIAHD-XXLFKDOXSA-N
ChEBI Ontology
Outgoing Relation(s)
Glucofrangulin B (CHEBI:80740) is a monohydroxyanthraquinone (CHEBI:37483)
Manual XrefsDatabases
C16803KEGG COMPOUND
Registry NumbersSources
CAS:14062-59-0KEGG COMPOUND