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 COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OC)[C@H]3O[C@@]2(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces saganonensis No.4075 Ref.
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OrganismStreptomyces saganonensis No.4075
ReferenceArai,J. Antibiotics,29,(1976),863