| Name |
Protoceratin II |
| Formula |
C66H100O29S2 |
| Mw |
1420.5791687 |
| CAS RN |
763141-92-0 |
| C_ID |
C00043852
, 
|
| InChIKey |
UQLFWFTXAWHFED-GECYYJFKNA-N |
| InChICode |
InChI=1S/C66H100O29S2/c1-10-12-31(2)13-17-62(5,72)58-33(4)21-42-41(87-58)27-51-66(9,93-42)59(91-61-55(71)53(69)47(89-61)30-79-60-54(70)52(68)46(29-67)88-60)57-45(86-51)25-44-56(90-57)32(3)14-18-64(7)49(85-44)28-48-65(8,95-64)19-15-34-35(84-48)22-37-36(81-34)23-38-39(82-37)24-43-40(83-38)26-50(94-97(76,77)78)63(6,92-43)16-11-20-80-96(73,74)75/h10,13,17,32,34-61,67-72H,1-2,4,11-12,14-16,18-30H2,3,5-9H3,(H,73,74,75)(H,76,77,78)/b17-13+/t32-,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+,62+,63+,64-,65+,66+/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]5O[C@@H](CO)[C@H](O)[C@H]5O)[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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