| Name |
Isoscoparin I
(-)-Isoscoparin I |
| Formula |
C20H28O5 |
| Mw |
348.193674 |
| CAS RN |
1097647-32-9 |
| C_ID |
C00047257
, 
|
| InChIKey |
UQAGZQADCUJYDW-MCWJBXFVNA-N |
| InChICode |
InChI=1S/C20H28O5/c1-10-11-7-12(22)15-19(3)6-4-5-18(2,9-21)13(19)8-14(23)20(15,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15-,17+,18+,19+,20+/m0/s1 |
| SMILES |
C=C1C(=O)[C@]23C(O)[C@H]1C[C@H](O)[C@H]2[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon scoparius | Ref. |
|
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