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CHEBI:168386 - Canavalioside
| Formula | C26H42O12 |
| Net Charge | 0 |
| Average Mass | 546.610 |
| Monoisotopic Mass | 546.26763 |
| SMILES | CC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(O)(CCC21)C(O)(COC1OC(CO)C(O)C(O)C1O)C3 |
| InChI | InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34) |
| InChIKey | HVFLAHBPOQXZBM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Canavalioside (CHEBI:168386) is a diterpene glycoside (CHEBI:71939) |
| IUPAC Name |
|---|
| 2,3,13,14-tetrahydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036317 | HMDB |