| Name |
Toxadocial B |
| Formula |
C50H96O18S4 |
| Mw |
1112.54794918 |
| CAS RN |
152574-78-2 |
| C_ID |
C00040514
, 
|
| InChIKey |
RCRKZDMAXLQDAX-RNXYAWGZNA-N |
| InChICode |
InChI=1S/C50H96O18S4/c1-3-5-7-26-36-46(65-69(53,54)55)38-28-18-11-9-12-19-30-40-48(67-71(59,60)61)41-31-23-25-35-45(44-51)34-24-17-15-16-21-32-42-49(52)50(68-72(62,63)64)43-33-22-14-10-13-20-29-39-47(66-70(56,57)58)37-27-8-6-4-2/h16,21,34,44,46-50,52H,3-15,17-20,22-33,35-43H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)/b21-16+,45-34+/t46-,47+,48-,49+,50-/m1/s1 |
| SMILES |
CCCCCCC(CCCCCCCCCC(CCCCC/C(C=O)=CCCC/C=C/CCC(O)C(CCCCCCCCCC(CCCCCC)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Toxadocia sp. | Ref. |
|
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