input word = C00017122

Metabolite InformationStructural formula
Name 13beta,29-Dihydroxymilbemycin A3
Formula C31H44O9
Mw 560.298533
CAS RN 136173-65-4
C_ID C00017122 ,
InChIKey KYWVCYGVFODUCB-APNNCENDNA-N
InChICode InChI=1S/C31H44O9/c1-17-10-11-30(39-20(17)4)14-24-13-23(40-30)9-8-21(15-32)26(33)18(2)6-5-7-22-16-37-28-27(34)19(3)12-25(29(35)38-24)31(22,28)36/h5-8,12,17-18,20,23-28,32-34,36H,9-11,13-16H2,1-4H3/b6-5+,21-8+,22-7+/t17-,18-,20+,23+,24+,25+,26-,27-,28+,30+,31-/m1/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\CO)O[C@]1(C4)CC[C@H]([C@@H](O1)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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OrganismStreptomyces cavourensis SANK 67386
ReferenceNakagawa,J.Antibiotics 44,(1991),803