| Name |
Methyl isoobacunoate |
| Formula |
C27H34O8 |
| Mw |
486.22536806 |
| CAS RN |
78085-63-9 |
| C_ID |
C00062993
|
| InChIKey |
PIMHETLTQXNYHC-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C27H34O8/c1-23(2)16-11-17(28)26(5)15(25(16,4)18(34-23)12-19(29)31-6)7-9-24(3)20(14-8-10-32-13-14)33-22(30)21-27(24,26)35-21/h8,10,13,15-16,18,20-21H,7,9,11-12H2,1-6H3 |
| SMILES |
COC(=O)CC1OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(c5ccoc5)OC(=O)C5OC543)C12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus paradisi  | Ref. |
|
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