input word = C00016052

Metabolite InformationStructural formula
Name Diatracin
Vancocin
Vancocine
Formula C66H75Cl2N9O24
Mw 1447.43019981
CAS RN 1404-90-6
C_ID C00016052 ,
InChIKey MYPYJXKWCTUITO-NFZBNENONA-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(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)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/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,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-,56-,57+,65-,66-/m0/s1
SMILES c1(c2ccc(c1)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@@H]1c3cc(O2)c(c(c3)Oc2ccc(cc2Cl)[C@H]([C@@H]2NC(=O)[C@H](NC1=O)c1cc(c3c([C@H](NC2=O)C(=O)O)cc(cc3O)O)c(cc1)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1C[C@@]([C@@H]([C@@H](O1)C)O)(N)C)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis Ref.
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