input word = C00017927

Metabolite InformationStructural formula
Name Orienticin D
Formula C74H91ClN10O26
Mw 1570.57945087
CAS RN 112848-46-1
C_ID C00017927 ,
InChIKey BTCGMSGGRYTEHK-UHFFFAOYNA-N
InChICode InChI=1S/C74H91ClN10O26/c1-28(2)17-41(85(7)8)66(97)83-55-57(91)31-9-13-36(14-10-31)106-45-20-34-21-46(61(45)111-72-62(59(93)58(92)47(27-86)108-72)110-50-26-74(6,78)64(95)30(4)105-50)107-44-16-12-33(19-39(44)75)60(109-49-25-73(5,77)63(94)29(3)104-49)56-70(101)82-54(71(102)103)38-22-35(87)23-43(89)51(38)37-18-32(11-15-42(37)88)52(67(98)84-56)81-68(99)53(34)80-65(96)40(24-48(76)90)79-69(55)100/h9-16,18-23,28-30,40-41,47,49-50,52-60,62-64,72,86-89,91-95H,17,24-27,77-78H2,1-8H3,(H2,76,90)(H,79,100)(H,80,96)(H,81,99)(H,82,101)(H,83,97)(H,84,98)(H,102,103)/t29-,30-,40-,41+,47+,49+,50+,52-,53-,54+,55-,56+,57+,58-,59+,60+,62+,63-,64-,72-,73+,74+/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](N(C)C)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