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CHEBI:70437 - 3''O-acetylplatycodin D
| Formula | C59H94O29 |
| Net Charge | 0 |
| Average Mass | 1267.372 |
| Monoisotopic Mass | 1266.58808 |
| SMILES | [H][C@@]1(O[C@H]2[C@@H](O)C[C@]3(C)[C@@]4([H])CC=C5[C@]6([H])CC(C)(C)CC[C@]6(C(=O)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@]6([H])O[C@@H](C)[C@]([H])(O[C@@H]7OC[C@@H](O)[C@]([H])(O[C@@H]8OC[C@](O)(CO)[C@H]8O)[C@H]7O)[C@@H](OC(C)=O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@@]3([H])C2(CO)CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C59H94O29/c1-24-41(84-47-39(73)42(30(67)19-78-47)85-51-45(75)58(77,22-63)23-80-51)43(82-25(2)64)40(74)49(81-24)86-44-35(69)29(66)18-79-50(44)88-52(76)59-13-12-53(3,4)14-27(59)26-8-9-32-54(5)15-28(65)46(87-48-38(72)37(71)36(70)31(17-60)83-48)57(20-61,21-62)33(54)10-11-55(32,6)56(26,7)16-34(59)68/h8,24,27-51,60-63,65-75,77H,9-23H2,1-7H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,54+,55+,56+,58+,59+/m0/s1 |
| InChIKey | SDKXNUPDGQJUHA-ACRKBEDHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Platycodon grandiflorum (ncbitaxon:94286) | root (BTO:0001188) | PubMed (20939516) | Dried roots were extracted with MeOH by percolation |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3''O-acetylplatycodin D (CHEBI:70437) has role metabolite (CHEBI:25212) |
| 3''O-acetylplatycodin D (CHEBI:70437) is a triterpenoid saponin (CHEBI:61778) |
| Synonym | Source |
|---|---|
| alpha-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-xylopyranosyl-(1->4)-O-3-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-1-O-[(2beta,3beta,16alpha)-3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-28-oxoolean-12-en-28-yl]- | ChEBI |
| Citations |
|---|