input word = C00018506

Metabolite InformationStructural formula
Name 5-Ketomilbemycin A4
5-Oxo-5-deoxymilbemycin A4
5-Oxomilbemycin A4
Milbemycin K
Formula C32H44O7
Mw 540.30870376
CAS RN 86691-97-6
C_ID C00018506 ,
InChIKey UFQQXUKNLJUJRF-OOOUKLLJNA-N
InChICode InChI=1S/C32H44O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-27,29,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27+,29+,31-,32+/m0/s1
SMILES C1[C@H](/C=C/C=C\2/[C@]3([C@H](C(=O)O[C@H]4C[C@@H](C/C=C/1\C)O[C@]1(C4)O[C@@H]([C@H](CC1)C)CC)C=C(C(=O)[C@H]3OC2)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus subsp. aureolacrimosus Rf-107 Ref.
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