input word = C00017120

Metabolite InformationStructural formula
Name 13beta-Hydroxymilbemycin D
Formula C33H48O8
Mw 572.33491851
CAS RN 104420-33-9
C_ID C00017120 ,
InChIKey UBVLPDBSWIZGLP-DFMPYVFMNA-N
InChICode InChI=1S/C33H48O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,14,18-19,21,24-30,34-35,37H,11-13,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,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\C)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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