input word = C00015405

Metabolite InformationStructural formula
Name Decatromicin B
Formula C45H56Cl2N2O10
Mw 854.33120144
CAS RN 235097-64-0
C_ID C00015405 ,
InChIKey OKYWSSBYCHUWKT-DNPYOKEGNA-N
InChICode InChI=1S/C45H56Cl2N2O10/c1-7-25-20-45-39(52)34(42(56)59-45)38(51)44(8-2)26(12-10-9-11-22(3)19-43(45,6)21-28(25)41(54)55)14-15-27-29(44)16-13-23(4)37(27)58-33-18-31(50)35(24(5)57-33)49-40(53)36-30(46)17-32(47)48-36/h9-10,14-15,17,19,21,23-27,29,31,33,35,37,48,50,52H,7-8,11-13,16,18,20H2,1-6H3,(H,49,53)(H,54,55)/b10-9+,22-19+/t23-,24+,25-,26+,27-,29+,31+,33-,35+,37-,43-,44+,45+/m0/s1
SMILES [C@H]1(C(=C[C@]2([C@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@H](C/C=C/C/C(=C/2)/C)C=C[C@H]2[C@H]1CC[C@@H]([C@@H]2O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)NC(=O)c1c(cc([nH]1)Cl)Cl)C)C)CC)C)C(=O)O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura sp. MK73-NF4 Ref.
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