input word = C00017924

Metabolite InformationStructural formula
Name Antibiotic PA 42867A
Antibiotic UK 72051
Orienticin A
UK 72051
Formula C73H89ClN10O26
Mw 1556.5638008
CAS RN 111073-20-2
C_ID C00017924 ,
InChIKey BURNGCVAUVZERJ-UHFFFAOYNA-N
InChICode InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)30-8-12-35(13-9-30)105-44-19-33-20-45(60(44)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)106-43-15-11-32(18-38(43)74)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29+,39-,40-,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](c6cc(c(O3)cc6)Cl)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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OrganismNocardia orientalis PA-42867
ReferenceTsuji,J.Antibiotics,41,(1988),819