input word = C00017121

Metabolite InformationStructural formula
Name 13beta,29-Dihydroxymilbemycin A4
Formula C32H46O9
Mw 574.31418307
CAS RN 134053-89-7
C_ID C00017121 ,
InChIKey QNRGVUGZBUINDR-GSOUYONYNA-N
InChICode InChI=1S/C32H46O9/c1-5-26-18(2)11-12-31(41-26)15-24-14-23(40-31)10-9-21(16-33)27(34)19(3)7-6-8-22-17-38-29-28(35)20(4)13-25(30(36)39-24)32(22,29)37/h6-9,13,18-19,23-29,33-35,37H,5,10-12,14-17H2,1-4H3/b7-6+,21-9+,22-8+/t18-,19-,23+,24-,25-,26+,27+,28+,29-,31+,32+/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)O[C@H]([C@@H](CC1)C)CC)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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