input word = C00016390

Metabolite InformationStructural formula
Name Cymbimicin B
Formula C58H86N2O13
Mw 1018.61299085
CAS RN 200564-07-4
C_ID C00016390 ,
InChIKey FSJKTPQBGQUBPN-VOJDNWENNA-N
InChICode InChI=1S/C58H86N2O13/c1-13-45-48(72-47(37(6)52(45)63)26-19-15-18-25-44(69-11)31-43(61)29-27-35(4)21-20-24-42-33-71-40(9)58(10,68)54(42)64)30-28-36(5)46(62)32-49(70-12)38(7)55(65)59-50(34(2)3)56(66)60-51-39(8)53(73-57(51)67)41-22-16-14-17-23-41/h14-24,26-29,34,37-40,42,44-54,62-64,68H,13,25,30-33H2,1-12H3,(H,59,65)(H,60,66)/b18-15+,24-20+,26-19+,29-27+,35-21+,36-28+/t37-,38-,39+,40+,42+,44-,45+,46-,47-,48+,49+,50+,51+,52+,53-,54+,58-/m1/s1
SMILES CCC1C(C/C=C(C)C(O)CC(OC)C(C)C(=O)NC(C(=O)NC2C(=O)OC(c3ccccc3)C2C)C(C)C)OC(/C=C/C=C/CC(CC(=O)/C=C/C(C)=C/C=C/C2COC(C)C(C)(O)C2O)OC)C(C)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin L-Phe
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. A92-313709 Ref.
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