| Name |
Orthosiphol D |
| Formula |
C31H36O9 |
| Mw |
552.23593275 |
| CAS RN |
149725-32-6 |
| C_ID |
C00044974
, 
|
| InChIKey |
LSZJDNYREMWISO-WBIQFAPQNA-N |
| InChICode |
InChI=1S/C31H36O9/c1-8-29(6)15-20(40-26(35)19-12-10-9-11-13-19)24-30(7)16-21(38-17(2)32)25(34)28(4,5)22(30)14-23(39-18(3)33)31(24,37)27(29)36/h8-13,16,20,22-24,37H,1,14-15H2,2-7H3/t20-,22+,23-,24-,29+,30+,31+/m1/s1 |
| SMILES |
C=C[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Orthosiphon stamineus  | Ref. |
|
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