| 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@@]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@H]1O[C@H]([C@@H]([C@H]1O)O)CO)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. |
|
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