| Name |
Simocyclinone D8 |
| Formula |
C46H42ClNO18 |
| Mw |
931.20904126 |
| CAS RN |
301845-97-6 |
| C_ID |
C00015638
, 
|
| InChIKey |
PLEGMCYXNQPJNV-VBKZUVPQNA-N |
| InChICode |
InChI=1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4+,7-5+,10-8+,11-9+/t21-,27-,28+,30-,38+,41-,43-,44+,45+,46-/m0/s1 |
| SMILES |
c1(ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)/C=C/C=C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@@H](O[C@@H](C1)c1c(c2c(cc1)C(=O)[C@]13[C@]([C@H]2O)([C@H](C[C@@]2([C@@]1(C(=O)C=C(C2)C)O)O)O)O3)O)C)OC(=O)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Streptomycetaceae | Streptomyces antibioticus Tu 6040 | Ref. |
|
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