input word = C00018103

Metabolite InformationStructural formula
Name Herbicidin A
Formula C23H29N5O11
Mw 551.18635681
CAS RN 55353-31-6
C_ID C00018103 ,
InChIKey LOWKANMKNQBRPJ-AFEIUDPANA-N
InChICode InChI=1S/C23H29N5O11/c1-4-9(6-29)21(31)38-17-13(30)15(22(32)35-3)37-11-5-10-14(39-23(11,17)33)16(34-2)20(36-10)28-8-27-12-18(24)25-7-26-19(12)28/h4,7-8,10-11,13-17,20,29-30,33H,5-6H2,1-3H3,(H2,24,25,26)/b9-4+/t10-,11-,13-,14-,15+,16+,17+,20-,23+/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]1OC(=O)/C(=C/C)/CO)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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OrganismStreptomyces saganonensis No.4075
ReferenceArai,J. Antibiotics,29,(1976),863