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CHEBI:192228 - Phytolaccoside F
| Formula | C48H76O19 |
| Net Charge | 0 |
| Average Mass | 957.117 |
| Monoisotopic Mass | 956.49808 |
| SMILES | COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| InChI | InChI=1S/C48H76O19/c1-22-30(52)33(55)35(57)38(63-22)66-37-34(56)32(54)26(19-49)64-40(37)67-36-31(53)25(51)20-62-39(36)65-29-11-12-44(3)27(45(29,4)21-50)10-13-47(6)28(44)9-8-23-24-18-43(2,42(60)61-7)14-16-48(24,41(58)59)17-15-46(23,47)5/h8,22,24-40,49-57H,9-21H2,1-7H3,(H,58,59) |
| InChIKey | GSUHSCPABMCWMK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Marine plankton environmental sample (ncbitaxon:632957) | - | MetaboLights (MTBLS4424) | Found in endometabolome. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phytolaccoside F (CHEBI:192228) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 10-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040880 | HMDB |