| Name |
1-Hydroxy-3-oxo-12-ursen-28-oic acid
Annurconic acid |
| Formula |
C30H46O4 |
| Mw |
470.33960996 |
| CAS RN |
873794-06-0 |
| C_ID |
C00055278
|
| InChIKey |
VAIFTDFOMOPAOK-DIVOCMQLSA-N |
| InChICode |
InChI=1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-27(5)19(24(30)18(17)2)8-9-21-28(27,6)12-11-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21+,23+,24+,27-,28-,29+,30+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Malus sp. | Ref. |
| - | - | Annurca apples | Ref. |
|
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