input word = C00024683

Metabolite InformationStructural formula
Name AT 2433A2
Formula C33H33ClN4O9
Mw 664.19360639
CAS RN 102644-19-9
C_ID C00024683 ,
InChIKey GZGADZPEYFVGGH-ABGXLDCJNA-N
InChICode InChI=1S/C33H33ClN4O9/c1-37-31(42)23-21-13-6-3-4-9-17(13)36-25(21)27-22(24(23)32(37)43)14-7-5-8-15(34)26(14)38(27)33-29(41)28(40)30(44-2)19(47-33)12-46-20-10-18(39)16(35)11-45-20/h3-9,16,18-20,28-30,33,36,39-41H,10-12,35H2,1-2H3/t16-,18-,19+,20-,28-,29-,30+,33+/m0/s1
SMILES c1ccc2c(c1Cl)n(c1c2c2c(c3c1[nH]c1c3cccc1)c(=O)n(c2=O)C)[C@@H]1O[C@@H]([C@@H](OC)[C@@H](O)[C@@H]1O)CO[C@H]1C[C@@H]([C@H](CO1)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura melliaura sp. Ref.
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