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CHEBI:189927 - Melilotoside D
| Formula | C52H86O20 |
| Net Charge | 0 |
| Average Mass | 1031.240 |
| Monoisotopic Mass | 1030.57125 |
| SMILES | CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O |
| InChI | InChI=1S/C52H86O20/c1-23-33(58)37(62)39(64)44(67-23)72-42-40(70-43-38(63)34(59)26(55)20-65-43)36(61)28(19-53)68-46(42)71-41-35(60)27(56)21-66-45(41)69-32-12-13-49(5)29(50(32,6)22-54)11-14-52(8)30(49)10-9-24-25-17-47(2,3)18-31(57)48(25,4)15-16-51(24,52)7/h9,23,25-46,53-64H,10-22H2,1-8H3 |
| InChIKey | MKFBJAPUHISATM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| marine plankton environmental sample (ncbitaxon:632957) | endometabolome | MetaboLights (MTBLS3038) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Melilotoside D (CHEBI:189927) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 2-[2-[4,5-dihydroxy-2-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0041467 | HMDB |