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CHEBI:169646 - CE(15D5)
| Formula | C53H90O3 |
| Net Charge | 0 |
| Average Mass | 775.300 |
| Monoisotopic Mass | 774.68900 |
| SMILES | CCCCCc1oc(CCCCCCCCCCCCCCC(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c(C)c1C |
| InChI | InChI=1S/C53H90O3/c1-9-10-21-27-49-41(5)42(6)50(56-49)28-22-19-17-15-13-11-12-14-16-18-20-23-29-51(54)55-44-34-36-52(7)43(38-44)30-31-45-47-33-32-46(40(4)26-24-25-39(2)3)53(47,8)37-35-48(45)52/h30,39-40,44-48H,9-29,31-38H2,1-8H3 |
| InChIKey | FYABGDVOSWELSD-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) |
| CE(15D5) (CHEBI:169646) is a cholesteryl ester (CHEBI:17002) |
| IUPAC Name |
|---|
| [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 15-(3,4-dimethyl-5-pentyluran-2-yl)pentadecanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0112210 | HMDB |