input word = C00016943

Metabolite InformationStructural formula
Name Balhimycin
Formula C66H73Cl2N9O24
Mw 1445.41454975
CAS RN 140932-79-2
C_ID C00016943 ,
InChIKey WKNFBFHAYANQHF-QWRBVBMXNA-N
InChICode InChI=1S/C66H73Cl2N9O24/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/h6-11,13-19,23-24,34-35,42,44,46-55,65,71,78-81,83-86H,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+,65-,66-/m0/s1
SMILES c1c2cc(c(c1)Oc1c(c3cc([C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]2O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)C(=O)N[C@H]2C(=O)N[C@@H]([C@@H](c4ccc(O3)c(c4)Cl)O[C@@H]3O[C@H](C(=O)[C@@](C3)(C)N)C)C(=O)N[C@@H](c3c(c4cc2ccc4O)c(cc(c3)O)O)C(=O)O)c1)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. T-8621022 Ref.
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