| Name |
Areptin B |
| Formula |
C29H40O10 |
| Mw |
548.2621475 |
| CAS RN |
220997-81-9 |
| C_ID |
C00040877
, 
|
| InChIKey |
VHMXRHYBQSWLTN-AQIHBAAYNA-N |
| InChICode |
InChI=1S/C29H40O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h7-9,16,19-24,26,32H,10-14H2,1-6H3/b15-7+/t16-,19-,20-,21+,22+,23+,24-,26-,27-,28-,29-/m1/s1 |
| SMILES |
C/C=C(C)C(=O)O[C@@H]1C[C@H](O)[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga reptans  | Ref. |
|
|
zoom in
| Organism | Ajuga reptans |
|---|
| Reference | Malakov,Phytochem.,49,(1998),2443 |
|---|
|
