| Name |
Protoceratin I |
| Formula |
C56H84O21S2 |
| Mw |
1156.49465121 |
| CAS RN |
196309-94-1 |
| C_ID |
C00043851
, 
|
| InChIKey |
RVOXLHZDVJPIKK-ZRFPDZGDNA-N |
| InChICode |
InChI=1S/C56H84O21S2/c1-10-12-29(2)13-17-52(5,58)51-31(4)21-40-39(72-51)27-47-56(9,75-40)50(57)49-43(71-47)25-42-48(73-49)30(3)14-18-54(7)45(70-42)28-44-55(8,77-54)19-15-32-33(69-44)22-35-34(66-32)23-36-37(67-35)24-41-38(68-36)26-46(76-79(62,63)64)53(6,74-41)16-11-20-65-78(59,60)61/h10,13,17,30,32-51,57-58H,1-2,4,11-12,14-16,18-28H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b17-13+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45+,46-,47-,48+,49-,50+,51-,52+,53+,54-,55+,56+/m0/s1 |
| SMILES |
[C@@]1([C@H](C[C@@H]2[C@@H](O1)C[C@@H]1[C@@H](O2)C[C@@H]2[C@@H](O1)C[C@@H]1[C@@H](O2)CC[C@@]2([C@@H](O1)C[C@@H]1[C@@](O2)(CC[C@@H]([C@@H]2[C@@H](O1)C[C@@H]1[C@H](O2)[C@H]([C@]2([C@@H](O1)C[C@@H]1[C@@H](O2)CC(=C)[C@H](O1)[C@@](/C=C/C(=C)CC=C)(O)C)C)O)C)C)C)OS(=O)(=O)O)(CCCOS(=O)(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Protoceratium cf. reticulatum | Ref. |
|
|
zoom in
| Organism | Protoceratium cf. reticulatum |
|---|
| Reference | Konishi,J.Nat.Prod.,67,(2004),1309 |
|---|
|
