| Name |
Areptin A |
| Formula |
C31H46O12 |
| Mw |
610.29892693 |
| CAS RN |
220997-80-8 |
| C_ID |
C00040876
, 
|
| InChIKey |
MMLPTCVXPCYZCP-TYYGJUPENA-N |
| InChICode |
InChI=1S/C31H46O12/c1-8-15(2)27(36)43-26-24(41-19(6)34)23(35)25-29(7,21-12-20-9-10-37-28(20)42-21)16(3)11-22(40-18(5)33)30(25,13-38-17(4)32)31(26)14-39-31/h15-16,20-26,28,35H,8-14H2,1-7H3/t15-,16+,20+,21-,22-,23+,24+,25+,26-,28-,29+,30+,31+/m0/s1 |
| SMILES |
CCC(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](O)[C@@H]2[C@@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2 |
| 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 |
|---|
|
