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CHEBI:9771 - Tubeimoside I
| Formula | C63H98O29 |
| Net Charge | 0 |
| Average Mass | 1319.448 |
| Monoisotopic Mass | 1318.61938 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]45CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@H](OC(=O)C[C@](C)(O)CC(=O)O[C@@H]3[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@H]4[C@@H](OC[C@H](O)[C@@H]4O)OC5=O)O[C@H]3C)[C@H](O)[C@H]2O)[C@@]1(C)CO |
| InChI | InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35+,38-,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,50-,51-,52-,53-,54-,55-,58-,59-,60-,61+,62+,63-/m0/s1 |
| InChIKey | MCPFEAJYKIXPQF-DXZAWUHFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tubeimoside I (CHEBI:9771) is a triterpenoid (CHEBI:36615) |
| Synonym | Source |
|---|---|
| Tubeimoside I | KEGG COMPOUND |