| Name |
Clinopodic acid I |
| Formula |
C36H30O16 |
| Mw |
718.15338491 |
| CAS RN |
1174909-60-4 |
| C_ID |
C00047815
, 
|
| InChIKey |
ABOFMZGCFQOHLN-NDHLTROENA-N |
| InChICode |
InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)3-10-29(44)50-28(35(47)48)15-18-4-9-23(40)33-30(18)31(32(52-33)19-5-8-22(39)26(43)14-19)36(49)51-27(34(45)46)13-17-2-7-21(38)25(42)12-17/h1-12,14,27-28,31-32,37-43H,13,15H2,(H,45,46)(H,47,48)/b10-3+/t27-,28-,31+,32-/m1/s1 |
| SMILES |
c12c(c(ccc1C[C@H](C(=O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O)O[C@@H]([C@H]2C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O)c1ccc(c(c1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Clinopodium chinense var. parviflorum | Ref. |
|
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