| Name |
Antibiotic PA 42867B
Orienticin B |
| Formula |
C72H86ClN9O27 |
| Mw |
1543.53216632 |
| CAS RN |
111073-19-9 |
| C_ID |
C00017925
, 
|
| InChIKey |
VUYIFQIEISVCHE-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C72H86ClN9O27/c1-26(2)15-38(76-6)64(94)81-54-57(90)29-7-11-34(12-8-29)104-44-18-32-19-45(61(44)109-71-62(59(92)58(91)46(25-83)106-71)107-48-23-42(87)56(89)27(3)102-48)105-43-14-10-31(17-37(43)73)60(108-49-24-72(5,75)63(93)28(4)103-49)55-69(99)80-53(70(100)101)36-20-33(84)21-41(86)50(36)35-16-30(9-13-40(35)85)51(66(96)82-55)79-67(97)52(32)78-65(95)39(22-47(74)88)77-68(54)98/h7-14,16-21,26-28,38-39,42,46,48-49,51-60,62-63,71,76,83-87,89-93H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,98)(H,78,95)(H,79,97)(H,80,99)(H,81,94)(H,82,96)(H,100,101)/t27-,28+,38+,39-,42-,46-,48-,49+,51+,52-,53-,54+,55+,56+,57+,58+,59-,60-,62+,63+,71-,72-/m1/s1 |
| SMILES |
c1c2ccc(c1)Oc1c(c3cc(c1)[C@H](C(=O)N[C@H]1c4cc(c5c([C@@H](NC(=O)[C@H]([C@@H](c6cc(c(O3)cc6)Cl)O[C@@H]3O[C@H]([C@@H]([C@@](C3)(N)C)O)C)NC1=O)C(=O)O)cc(cc5O)O)c(cc4)O)NC(=O)[C@H](NC(=O)[C@H]([C@H]2O)NC(=O)[C@@H](NC)CC(C)C)CC(=O)N)O[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H]([C@@H]([C@@H](C1)O)O)C)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Nocardiaceae | Nocardia orientalis PA-42867 | Ref. |
|
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