input word = C00017056

Metabolite InformationStructural formula
Name Antibiotic MM 46115
MM 46115
Formula C50H67ClN2O10
Mw 890.44842409
CAS RN 132054-37-6
C_ID C00017056 ,
InChIKey DIYWRQBECFIIBI-GUUZMTTHNA-N
InChICode InChI=1S/C50H67ClN2O10/c1-10-13-29-16-17-31-20-25(3)38(62-39-23-35(53(8)9)43(28(6)61-39)52-47(59)40-27(5)34(51)18-19-36(40)54)15-12-14-33-30(11-2)22-32-42(26(4)21-37(55)44(32)56)49(33,7)45(57)41-46(58)50(31,24-29)63-48(41)60/h12,14,16-20,22,26,28-29,31-33,35,37-39,42-44,54-56,58H,10-11,13,15,21,23-24H2,1-9H3,(H,52,59)/b14-12-,25-20+/t26-,28-,29-,31+,32-,33-,35-,37-,38+,39-,42-,43+,44+,49+,50+/m0/s1
SMILES [C@@H]1(C=C[C@H]2[C@@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@@H](/C=C\C[C@H](/C(=C/2)/C)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)NC(=O)c2c(ccc(c2C)Cl)O)N(C)C)C(=C[C@H]2[C@@H]1[C@H](C[C@@H]([C@@H]2O)O)C)CC)C)CCC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura pelletieri Ref.
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