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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aurantio-obtusin β-D-glucoside
ChEBI ID CHEBI:28268
ChEBI ASCII Name aurantio-obtusin beta-D-glucoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2924, CHEBI:22675
Supplier Information
Download Molfile XML SDF
Formula C23H24O12
Net Charge 0
Average Mass 492.42946
Monoisotopic Mass 492.12678
InChI InChI=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
InChIKey LQYQYAJWKXDTHR-PHVGODQESA-N
SMILES COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O
ChEBI Ontology
Outgoing aurantio-obtusin β-D-glucoside (CHEBI:28268) has functional parent aurantio-obtusin (CHEBI:37386)
aurantio-obtusin β-D-glucoside (CHEBI:28268) is a β-D-glucoside (CHEBI:22798)
aurantio-obtusin β-D-glucoside (CHEBI:28268) is a dihydroxyanthraquinone (CHEBI:37484)
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-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00002796 KNApSAcK
C10303 KEGG COMPOUND
View more database links
Registry Number Type Source
129025-96-3 CAS Registry Number KEGG COMPOUND
Last Modified
14 June 2016