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CHEBI:192885 - Koryoginsenoside R1
| Formula | C46H76O15 |
| Net Charge | 0 |
| Average Mass | 869.099 |
| Monoisotopic Mass | 868.51842 |
| SMILES | C/C=C/C(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)(CCC=C(C)C)OC5OC(CO)C(O)C(O)C5O)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O |
| InChI | InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+ |
| InChIKey | HMPXCABYJUUDEV-ZRDIBKRKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cryptomeria (ncbitaxon:3368) | needle (BTO:0000917) | MetaboLights (MTBLS4099) | Strain: Cryptomeria fortunei Hooibrenk |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Koryoginsenoside R1 (CHEBI:192885) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [6-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-but-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041351 | HMDB |