input word = C00017624

Metabolite InformationStructural formula
Name Antibiotic PA 45052C
Chloroorienticin C
PA 45052C
Formula C60H65Cl2N9O19
Mw 1285.37737638
CAS RN 118373-82-3
C_ID C00017624 ,
InChIKey CHSINQSLUWRGER-UHFFFAOYNA-N
InChICode InChI=1S/C60H65Cl2N9O19/c1-22(2)12-33(65-5)53(79)70-47-49(76)25-7-10-37(31(61)14-25)88-39-16-27-17-40(50(39)77)89-38-11-8-26(15-32(38)62)51(90-42-21-60(4,64)52(78)23(3)87-42)48-58(84)69-46(59(85)86)30-18-28(72)19-36(74)43(30)29-13-24(6-9-35(29)73)44(55(81)71-48)68-56(82)45(27)67-54(80)34(20-41(63)75)66-57(47)83/h6-11,13-19,22-23,33-34,42,44-49,51-52,65,72-74,76-78H,12,20-21,64H2,1-5H3,(H2,63,75)(H,66,83)(H,67,80)(H,68,82)(H,69,84)(H,70,79)(H,71,81)(H,85,86)/t23-,33+,34-,42-,44+,45-,46-,47+,48-,49-,51-,52-,60+/m0/s1
SMILES Oc1c2cc3cc1Oc1ccc(cc1Cl)[C@@H]([C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]3C(=O)N[C@H]1C(=O)N[C@@H]([C@H](c3cc(c(O2)cc3)Cl)O[C@@H]2O[C@H]([C@@H]([C@](C2)(C)N)O)C)C(=O)N[C@@H](c2c(c3cc1ccc3O)c(cc(c2)O)O)C(=O)O)CC(=O)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis PA-45052 Ref.
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