input word = C00017119

Metabolite InformationStructural formula
Name 13beta-Hydroxymilbemycin A4
Formula C32H46O8
Mw 558.31926845
CAS RN 104420-34-0
C_ID C00017119 ,
InChIKey OPKXKFGKQPXWIH-MYJRKWNUNA-N
InChICode InChI=1S/C32H46O8/c1-6-26-18(2)12-13-31(40-26)16-24-15-23(39-31)11-10-20(4)27(33)19(3)8-7-9-22-17-37-29-28(34)21(5)14-25(30(35)38-24)32(22,29)36/h7-10,14,18-19,23-29,33-34,36H,6,11-13,15-17H2,1-5H3/b8-7+,20-10+,22-9+/t18-,19-,23+,24-,25-,26+,27+,28+,29+,31-,32+/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)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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