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CHEBI:191773 - Deacetylnomilinic acid
| Formula | C26H34O9 |
| Net Charge | 0 |
| Average Mass | 490.549 |
| Monoisotopic Mass | 490.22028 |
| SMILES | CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(c4ccoc4)OC(=O)C4OC432)C1(C)C(O)CC(=O)O |
| InChI | InChI=1S/C26H34O9/c1-22(2,32)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)30)6-8-23(3)19(13-7-9-33-12-13)34-21(31)20-26(23,25)35-20/h7,9,12,14-16,19-20,27,32H,6,8,10-11H2,1-5H3,(H,29,30) |
| InChIKey | OZOFRBKHLATMMU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Deacetylnomilinic acid (CHEBI:191773) is a steroid lactone (CHEBI:26766) |
| IUPAC Name |
|---|
| 3-[11-(uran-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 35013837 | ChemSpider |
| HMDB0035073 | HMDB |