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CHEBI:66818 - oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside]
| Formula | C53H86O21 |
| Net Charge | 0 |
| Average Mass | 1059.250 |
| Monoisotopic Mass | 1058.56616 |
| SMILES | [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O)[C@]([H])(O[C@@H]3[C@@H](O)[C@H](C)O[C@@]([H])(O[C@@H]4[C@@H](O)[C@@H](O)CO[C@@]4([H])O[C@H]4CC[C@]5(C)[C@@]6([H])CC=C7[C@]8([H])CC(C)(C)CC[C@]8(C(=O)O)CC[C@@]7(C)[C@]6(C)CC[C@@]5([H])C4(C)C)[C@@H]3O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C53H86O21/c1-23-32(57)41(73-44-38(63)36(61)40(28(21-55)70-44)72-43-37(62)35(60)34(59)27(20-54)69-43)39(64)45(68-23)74-42-33(58)26(56)22-67-46(42)71-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,47(65)66)18-16-51(24,52)7/h9,23,25-46,54-64H,10-22H2,1-8H3,(H,65,66)/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | VDRZQZWUCOHKED-BXROMGGZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pulsatilla chinensis (ncbitaxon:714493) | root (BTO:0001188) | PubMed (10514313) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) has functional parent oleanolic acid (CHEBI:37659) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) has parent hydride oleanane (CHEBI:36481) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) has role antineoplastic agent (CHEBI:35610) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) has role plant metabolite (CHEBI:76924) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) is a pentacyclic triterpenoid (CHEBI:25872) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) is a tetrasaccharide derivative (CHEBI:63567) |
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] (CHEBI:66818) is a triterpenoid saponin (CHEBI:61778) |
| IUPAC Name |
|---|
| (3β)-3-{[β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid |
| Synonym | Source |
|---|---|
| oleanolic acid 3-O-[O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-α-L-arabinopyranoside] | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:19536612 | Reaxys |
| Citations |
|---|