| Name |
Protoceratin III |
| Formula |
C61H92O25S2 |
| Mw |
1288.53690995 |
| CAS RN |
763141-93-1 |
| C_ID |
C00043853
, 
|
| InChIKey |
VBHNLWNSAYCACD-XTANTSKSNA-N |
| InChICode |
InChI=1S/C61H92O25S2/c1-10-12-30(2)13-17-57(5,65)54-32(4)21-41-40(79-54)27-49-61(9,84-41)55(82-56-51(64)50(63)45(29-62)80-56)53-44(78-49)25-43-52(81-53)31(3)14-18-59(7)47(77-43)28-46-60(8,86-59)19-15-33-34(76-46)22-36-35(73-33)23-37-38(74-36)24-42-39(75-37)26-48(85-88(69,70)71)58(6,83-42)16-11-20-72-87(66,67)68/h10,13,17,31,33-56,62-65H,1-2,4,11-12,14-16,18-29H2,3,5-9H3,(H,66,67,68)(H,69,70,71)/b17-13+/t31-,33-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48+,49-,50-,51+,52+,53-,54-,55+,56+,57+,58+,59-,60+,61+/m0/s1 |
| SMILES |
C=CCC(=C)/C=C/[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCCOS(=O)(=O)O)C(OS(=O)(=O)O)C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@]3(C)O[C@H]2CC1=C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Protoceratium cf. reticulatum | Ref. |
|
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