input word = C00017118

Metabolite InformationStructural formula
Name 13beta-Hydroxymilbemycin A3
Formula C31H44O8
Mw 544.30361838
CAS RN 117773-36-1
C_ID C00017118 ,
InChIKey FYCCZBWOYMLGIN-LDZNRLJBNA-N
InChICode InChI=1S/C31H44O8/c1-17-11-12-30(38-21(17)5)15-24-14-23(39-30)10-9-19(3)26(32)18(2)7-6-8-22-16-36-28-27(33)20(4)13-25(29(34)37-24)31(22,28)35/h6-9,13,17-18,21,23-28,32-33,35H,10-12,14-16H2,1-5H3/b7-6+,19-9+,22-8+/t17-,18-,21+,23+,24+,25-,26+,27+,28+,30+,31+/m0/s1
SMILES [C@H]1([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@H]([C@H]3OC2)O)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cavourensis SANK 67386 Ref.
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