input word = C00015394

Metabolite InformationStructural formula
Name Decatromicin A
Formula C45H57ClN2O10
Mw 820.37017377
CAS RN 235097-63-9
C_ID C00015394 ,
InChIKey YKLXDAWPGVZXKC-KQECXGIBNA-N
InChICode InChI=1S/C45H57ClN2O10/c1-7-26-21-45-39(51)34(42(55)58-45)38(50)44(8-2)27(12-10-9-11-23(3)20-43(45,6)22-29(26)41(53)54)14-15-28-30(44)16-13-24(4)37(28)57-33-19-32(49)35(25(5)56-33)48-40(52)36-31(46)17-18-47-36/h9-10,14-15,17-18,20,22,24-28,30,32-33,35,37,47,49,51H,7-8,11-13,16,19,21H2,1-6H3,(H,48,52)(H,53,54)/b10-9+,23-20+/t24-,25+,26-,27+,28+,30+,32+,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)C)C)CC)C)C(=O)O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura sp. MK73-NF4 Ref.
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