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CHEBI:168697 - Phaseolus e
| Formula | C25H34O12 |
| Net Charge | 0 |
| Average Mass | 526.535 |
| Monoisotopic Mass | 526.20503 |
| SMILES | C=C1CC23CC1(O)CCC2C12CC(OC4OC(CO)C(O)C(O)C4O)C(O)C(C)(C(=O)O1)C2C3C(=O)O |
| InChI | InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32) |
| InChIKey | RWSSUUKUVKNZLZ-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) |
| Phaseolus e (CHEBI:168697) is a diterpene glycoside (CHEBI:71939) |
| IUPAC Name |
|---|
| 5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035039 | HMDB |