| Name |
Magnesium lithospermate B |
| Formula |
C36H28MgO16 |
| Mw |
740.12277672 |
| CAS RN |
122021-74-3 |
| C_ID |
C00051427
|
| InChIKey |
XHPMCUGTNIOLTK-DCDCITSCNA-L |
| InChICode |
InChI=1S/C36H30O16.Mg/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17;/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48);/q;+2/p-2 |
| SMILES |
O=C1/C=C/c2cc(O)c3c(c2)C(C(=O)OC(Cc2ccc(O)c(O)c2)C(=O)O[Mg]OC(=O)C(Cc2ccc(O)c(O)c2)O1)C(c1ccc(O)c(O)c1)O3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Salvia miltiorrhiza  | Ref. |
|
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