| Name |
Ditrisarubicin A |
| Formula |
C60H82N2O22 |
| Mw |
1182.53592232 |
| CAS RN |
87399-21-1 |
| C_ID |
C00018521
, 
|
| InChIKey |
YSHFQLRUHOZEFD-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C60H82N2O22/c1-12-60(71)23-39(79-41-18-31(61(8)9)55(26(4)73-41)82-44-22-37-57(29(7)76-44)84-59-38(78-37)20-35(65)25(3)77-59)46-49(53(70)47-48(52(46)69)51(68)45-30(50(47)67)14-13-15-34(45)64)58(60)83-42-19-32(62(10)11)54(27(5)74-42)81-43-21-36(66)56(28(6)75-43)80-40-17-16-33(63)24(2)72-40/h13-15,24-29,31-32,36-44,54-59,64,66,69-71H,12,16-23H2,1-11H3/t24-,25-,26-,27-,28+,29+,31-,32-,36+,37-,38+,39-,40-,41+,42-,43-,44+,54+,55+,56-,57+,58-,59+,60-/m1/s1 |
| SMILES |
O1[C@H](C[C@@H]2[C@H]([C@@H]1C)O[C@H]1[C@@H](O2)CC(=O)[C@H](O1)C)O[C@H]1[C@H](O[C@H](C[C@H]1N(C)C)O[C@H]1c2c([C@H]([C@](C1)(CC)O)O[C@H]1O[C@@H]([C@@H]([C@@H](C1)N(C)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1CCC(=O)[C@H](O1)C)O)C)c(c1c(c2O)C(=O)c2c(C1=O)cccc2O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Streptomycetaceae | Streptomyces cyaneus MG344-hF49 | Ref. |
|
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