| Name |
Simocyclinone D4 |
| Formula |
C46H43NO18 |
| Mw |
897.24801358 |
| CAS RN |
301845-96-5 |
| C_ID |
C00015637
, 
|
| InChIKey |
BYRCKZGAZLSMGB-ITPBPAONNA-N |
| InChICode |
InChI=1S/C46H43NO18/c1-21-16-31(50)45(60)43(59,19-21)20-32(51)44-41(57)35-27(40(56)46(44,45)65-44)15-14-25(37(35)54)29-18-30(39(22(2)61-29)62-23(3)48)63-34(53)11-9-7-5-4-6-8-10-33(52)47-36-38(55)26-13-12-24(49)17-28(26)64-42(36)58/h4-17,22,29-30,32,39,41,49,51,54-55,57,59-60H,18-20H2,1-3H3,(H,47,52)/b6-4+,7-5+,10-8+,11-9+/t22-,29-,30-,32-,39+,41+,43+,44+,45-,46-/m0/s1 |
| SMILES |
CC(=O)O[C@@H]1[C@@H](C)OC(c2ccc3c(c2O)C(O)C24OC2(C3=O)C2(O)C(=O)C=C(C)CC2(O)CC4O)C[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)Nc1c(O)c2ccc(O)cc2oc1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Streptomycetaceae | Streptomyces antibioticus Tu 6040 | Ref. |
|
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