input word = C00017123

Metabolite InformationStructural formula
Name 13beta,29-Dihydroxymilbemycin D
Formula C33H48O9
Mw 588.32983313
CAS RN 136105-88-9
C_ID C00017123 ,
InChIKey HMIDLINCQLCBPY-CRRGVSOWNA-N
InChICode InChI=1S/C33H48O9/c1-18(2)29-20(4)11-12-32(42-29)15-25-14-24(41-32)10-9-22(16-34)27(35)19(3)7-6-8-23-17-39-30-28(36)21(5)13-26(31(37)40-25)33(23,30)38/h6-9,13,18-20,24-30,34-36,38H,10-12,14-17H2,1-5H3/b7-6+,22-9+,23-8+/t19-,20+,24+,25-,26-,27+,28+,29-,30-,32+,33+/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\CO)O[C@@]1(C4)O[C@H]([C@@H](CC1)C)C(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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