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CHEBI:168378 - FISSINOLIDE
| Formula | C29H36O8 |
| Net Charge | 0 |
| Average Mass | 512.599 |
| Monoisotopic Mass | 512.24102 |
| SMILES | [H][C@]12CC[C@]3(C)C(=C1C[C@]1([H])C(=O)C2(C)[C@@H](CC(=O)OC)C(C)(C)[C@@H]1OC(C)=O)CC(=O)O[C@H]3c1ccoc1 |
| InChI | InChI=1S/C29H36O8/c1-15(30)36-26-18-11-17-19(29(5,24(18)33)21(27(26,2)3)13-22(31)34-6)7-9-28(4)20(17)12-23(32)37-25(28)16-8-10-35-14-16/h8,10,14,18-19,21,25-26H,7,9,11-13H2,1-6H3/t18-,19+,21+,25+,26-,28-,29?/m1/s1 |
| InChIKey | YOTCKRFNSMJTGD-ZFZOQYKTSA-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) |
| FISSINOLIDE (CHEBI:168378) is a limonoid (CHEBI:39434) |
| IUPAC Name |
|---|
| methyl 2-[(2S,5R,6R,13S,14R,16S)-14-acetyloxy-6-(uran-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate |