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CHEBI:46707 - gypsogenin 3-O-rhamnosylglucosiduronic acid
| Formula | C42H64O14 |
| Net Charge | 0 |
| Average Mass | 792.960 |
| Monoisotopic Mass | 792.42961 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@]1(C)C=O |
| InChI | InChI=1S/C42H64O14/c1-20-26(44)27(45)28(46)34(53-20)55-31-29(47)32(33(49)50)56-35(30(31)48)54-25-11-12-38(4)23(39(25,5)19-43)10-13-41(7)24(38)9-8-21-22-18-37(2,3)14-16-42(22,36(51)52)17-15-40(21,41)6/h8,19-20,22-32,34-35,44-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t20-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | OLFGQBKWRYLUAQ-KHXUXTKLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) has functional parent gypsogenin (CHEBI:5580) |
| gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) is a disaccharide derivative (CHEBI:63353) |
| gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) is a glucosiduronic acid (CHEBI:24302) |
| gypsogenin 3-O-rhamnosylglucosiduronic acid (CHEBI:46707) is a rhamnosylglucoside (CHEBI:26548) |
| IUPAC Name |
|---|
| 28-hydroxy-23,28-dioxoolean-12-en-3β-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| Gypsogenin 3-O-rhamnosylglucuronide | KEGG COMPOUND |
| gypsogenin 3-O-rhamnosylglucuronoside | ChEBI |