| Name |
Secalonic acid A |
| Formula |
C32H30O14 |
| Mw |
638.16355567 |
| CAS RN |
35287-72-0 |
| C_ID |
C00045069
, 
|
| InChIKey |
DRYDKQOPVBDZMQ-ORHMDIIVNA-N |
| InChICode |
InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1 |
| SMILES |
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@@H]2O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
| Plantae | Polygonaceae | Ruprechtia tangarana | Ref. |
|
|
zoom in
| Organism | Claviceps purpurea |
|---|
| Reference | Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979) |
|---|
|
