| Name |
Thiomycalolide B |
| Formula |
C62H91N7O23S |
| Mw |
1333.588703 |
| CAS RN |
207227-81-4 |
| C_ID |
C00049898
, 
|
| InChIKey |
RUUMJBGFCHHXFD-BFYNHWRTNA-N |
| InChICode |
InChI=1S/C62H91N7O23S/c1-33(16-18-48(92-62(81)51(85-11)30-82-8)37(5)56(90-38(6)71)34(2)20-21-69(7)32-70)49(84-10)25-50-36(4)47(83-9)14-13-15-53-66-43(28-87-53)59-68-44(29-89-59)60-67-42(27-88-60)57(86-12)35(3)46(73)24-40(22-39(72)23-55(77)91-50)93-31-45(58(78)64-26-54(75)76)65-52(74)19-17-41(63)61(79)80/h13,15,20-21,27-29,32-37,39-41,45,47-51,56-57,72H,14,16-19,22-26,30-31,63H2,1-12H3,(H,64,78)(H,65,74)(H,75,76)(H,79,80)/b15-13-,21-20+/t33-,34-,35-,36+,37+,39+,40-,41+,45+,47+,48-,49+,50-,51+,56+,57+/m1/s1 |
| SMILES |
o1c2nc(c1)c1nc(co1)c1nc(co1)[C@H]([C@@H](C(=O)C[C@@H](C[C@@H](CC(=O)O[C@@H]([C@H]([C@H](C/C=C\2)OC)C)C[C@@H]([C@@H](CC[C@@H](OC(=O)[C@H](COC)OC)[C@H](C)[C@H]([C@@H](/C=C/N(C)C=O)C)OC(=O)C)C)OC)O)SC[C@H](NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)C)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Mycales sp. | Ref. |
|
|
zoom in
| Organism | Mycales sp. |
|---|
| Reference | Matsunaga,J.Nat.Prod.,61,(1998),663 |
|---|
|
