input word = C00016683

Metabolite InformationStructural formula
Name Sch 79236
WK 3419B
Formula C61H45Cl6N7O15
Mw 1325.11048008
CAS RN 160219-64-7
C_ID C00016683 ,
InChIKey FRRCHJPQSWYJSH-OQYAVYJQNA-N
InChICode InChI=1S/C61H45Cl6N7O15/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1
SMILES c12ccc(cc1)Oc1c(c3cc(c1)[C@H](C(=O)N[C@@H](C(=O)N([C@@H](C2)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O)C)c1cc(c(c(c1)Cl)O)Cl)NC(=O)[C@H](NC(=O)[C@@H](Cc1c2c(c3ccc2)[nH]c1)NC(=O)C(=O)c1cc(c(c(c1)Cl)O)Cl)c1cc(c(c(c1)Cl)O)Cl)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. WK-3419 Ref.
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