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CHEBI:28268 - aurantio-obtusin β-D-glucoside

ChEBI IDCHEBI:28268
ChEBI Nameaurantio-obtusin β-D-glucoside
Stars
ASCII Nameaurantio-obtusin beta-D-glucoside
Secondary ChEBI IDsCHEBI:2924, CHEBI:22675
Last Modified14 June 2016
DownloadsMolfile
FormulaC23H24O12
Net Charge0
Average Mass492.433
Monoisotopic Mass492.12678
SMILESCOc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O
InChIInChI=1S/C23H24O12/c1-7-4-8-13(22(33-3)14(7)25)17(28)12-9(15(8)26)5-10(21(32-2)18(12)29)34-23-20(31)19(30)16(27)11(6-24)35-23/h4-5,11,16,19-20,23-25,27,29-31H,6H2,1-3H3/t11-,16-,19+,20-,23-/m1/s1
InChIKeyLQYQYAJWKXDTHR-PHVGODQESA-N
ChEBI Ontology
Outgoing Relation(s)
aurantio-obtusin β-D-glucoside (CHEBI:28268) has functional parent aurantio-obtusin (CHEBI:37386)
aurantio-obtusin β-D-glucoside (CHEBI:28268) is a dihydroxyanthraquinone (CHEBI:37484)
aurantio-obtusin β-D-glucoside (CHEBI:28268) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
4,6-dihydroxy-3,5-dimethoxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl β-D-glucopyranoside
Synonym  Source
Aurantio-obtusin beta-D-glucosideKEGG COMPOUND
Manual XrefsDatabases
C10303KEGG COMPOUND
C00002796KNApSAcK
Registry NumbersSources
CAS:129025-96-3KEGG COMPOUND