input word = C00017926

Metabolite InformationStructural formula
Name A 82846C
Antibiotic A 82846C
Dechloroeremomycin
Orienticin C
Formula C73H90N10O26
Mw 1522.60277312
CAS RN 112848-47-2
C_ID C00017926 ,
InChIKey YIFROCWHIYVMGP-UHFFFAOYNA-N
InChICode InChI=1S/C73H90N10O26/c1-28(2)18-40(77-7)64(94)82-54-56(89)31-8-13-36(14-9-31)104-44-20-34-21-45(60(44)109-71-61(58(91)57(90)46(27-84)106-71)108-49-26-73(6,76)63(93)30(4)103-49)105-37-15-10-32(11-16-37)59(107-48-25-72(5,75)62(92)29(3)102-48)55-69(99)81-53(70(100)101)39-22-35(85)23-43(87)50(39)38-19-33(12-17-42(38)86)51(66(96)83-55)80-67(97)52(34)79-65(95)41(24-47(74)88)78-68(54)98/h8-17,19-23,28-30,40-41,46,48-49,51-59,61-63,71,77,84-87,89-93H,18,24-27,75-76H2,1-7H3,(H2,74,88)(H,78,98)(H,79,95)(H,80,97)(H,81,99)(H,82,94)(H,83,96)(H,100,101)/t29-,30-,40+,41+,46-,48-,49+,51+,52-,53+,54-,55+,56+,57+,58+,59+,61+,62-,63-,71-,72+,73+/m1/s1
SMILES c1c2ccc(c1)Oc1c(c3cc(c1)[C@H](C(=O)N[C@H]1c4cc(c5c([C@H](NC(=O)[C@H]([C@H](c6ccc(O3)cc6)O[C@H]3O[C@@H]([C@H]([C@](C3)(N)C)O)C)NC1=O)C(=O)O)cc(cc5O)O)c(cc4)O)NC(=O)[C@@H](NC(=O)[C@@H]([C@H]2O)NC(=O)[C@@H](NC)CC(C)C)CC(=O)N)O[C@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@](C1)(C)N)O)C)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia orientalis PA-42867 Ref.
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