input word = C00018104

Metabolite InformationStructural formula
Name Herbicidin B
Formula C18H23N5O9
Mw 453.14957737
CAS RN 55353-32-7
C_ID C00018104 ,
InChIKey GZBSICLBZYSADI-MIQACWRHNA-N
InChICode InChI=1S/C18H23N5O9/c1-28-12-10-6(30-16(12)23-5-22-8-14(19)20-4-21-15(8)23)3-7-18(27,32-10)13(25)9(24)11(31-7)17(26)29-2/h4-7,9-13,16,24-25,27H,3H2,1-2H3,(H2,19,20,21)/t6-,7-,9-,10-,11+,12+,13+,16-,18+/m1/s1
SMILES n1cnc2c(c1N)ncn2[C@@H]1O[C@H]2[C@H]([C@@H]1OC)O[C@]1([C@@H](C2)O[C@@H]([C@H]([C@@H]1O)O)C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces saganonensis No.4075 Ref.
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