input word = C00017623

Metabolite InformationStructural formula
Name Antibiotic PA 45052B
Chloroorienticin B
Dihydrobalhimycin
PA 45052B
Formula C66H75Cl2N9O24
Mw 1447.43019981
CAS RN 118373-81-2
C_ID C00017623 ,
InChIKey ATHQCOUEZPBNLP-DJWDJEDYNA-N
InChICode InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52-,53-,54+,55+,57-,65-,66-/m0/s1
SMILES O(c1c2cc3cc1Oc1ccc(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]2C[C@@]([C@H]([C@@H](O2)C)O)(N)C)C(=O)N[C@@H](c2c(c3cc1ccc3O)c(cc(c2)O)O)C(=O)O)CC(=O)N)O)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis PA-45052 Ref.
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OrganismAmycolatopsis orientalis PA-45052
ReferenceNaoki,J.Antibiotics,41,(1988),1506