CHEBI:7716 - Obtusifolin 2-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Obtusifolin 2-glucoside
ChEBI ID CHEBI:7716
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H22O10
Net Charge 0
Average Mass 446.405
Monoisotopic Mass 446.12130
InChI InChI=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
InChIKey JMDQOFZFOJHOMU-UJPYTVAASA-N
SMILES COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)cc2C(=O)c3cccc(O)c3C(=O)c12
ChEBI Ontology
Outgoing Obtusifolin 2-glucoside (CHEBI:7716) is a anthraquinone (CHEBI:22580)
Synonym Source
Obtusifolin 2-glucoside KEGG COMPOUND
Manual Xrefs Databases
C00002848 KNApSAcK
C10381 KEGG COMPOUND
View more database links
Registry Number Type Source
120163-18-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014