input word = C00018505

Metabolite InformationStructural formula
Name 5-Ketomilbemycin A3
5-Oxo-5-deoxymilbemycin A3
5-Oxomilbemycin A3
Milbemycin J
Formula C31H42O7
Mw 526.2930537
CAS RN 86691-98-7
C_ID C00018505 ,
InChIKey CZHVEYHEDZMISR-WCSYAZMHNA-N
InChICode InChI=1S/C31H42O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-26,28,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,28+,30+,31+/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)C)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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