| Name |
Isoobacunoic acid |
| Formula |
C26H32O8 |
| Mw |
472.209718 |
| CAS RN |
751-28-0 |
| C_ID |
C00041609
, 
|
| InChIKey |
HEKGWBIGPAUHQK-MOEGPATPNA-N |
| InChICode |
InChI=1S/C26H32O8/c1-22(2)15-10-16(27)25(5)14(24(15,4)17(33-22)11-18(28)29)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-15,17,19-20H,6,8,10-11H2,1-5H3,(H,28,29)/t14-,15+,17+,19+,20-,23+,24-,25+,26-/m1/s1 |
| SMILES |
CC1(C)O[C@@H](CC(=O)O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rutaceae | Citrus paradisi  | Ref. |
| Plantae | Rutaceae | Citrus paradisii | Ref. |
| Plantae | Rutaceae | Citrus sudachi | Ref. |
|
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