| Name |
Isoneriucoumaric acid |
| Formula |
C39H54O6 |
| Mw |
618.39203946 |
| CAS RN |
112693-17-1 |
| C_ID |
C00037334
, 
|
| InChIKey |
LPLNPAQMNWFTAI-NAMAVIJWNA-N |
| InChICode |
InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40,42H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,24+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Nerium oleander  | Ref. |
| Plantae | Myrtaceae | Psidium guajava | Ref. |
|
|
zoom in
| Organism | Psidium guajava |
|---|
| Reference | Begum,Phytochem.,61,(2002),399 |
|---|
|
