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CHEBI:185919 - Esculentoside E
| Formula | C35H54O11 |
| Net Charge | 0 |
| Average Mass | 650.806 |
| Monoisotopic Mass | 650.36661 |
| SMILES | [H][C@]12CC=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CO |
| InChI | InChI=1S/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20-,21+,22+,23+,24-,25+,26-,27-,30-,31-,32-,33+,34+,35-/m0/s1 |
| InChIKey | UERRXLUEVHKNBY-XLQRJJHLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Esculentoside E (CHEBI:185919) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 32697097 | ChemSpider |