input word = C00018237

Metabolite InformationStructural formula
Name Herbicidin E
Formula C22H29N5O10
Mw 523.19144219
CAS RN 72067-15-3
C_ID C00018237 ,
InChIKey DIGRAKJXHSMXBZ-NAPBVLGSNA-N
InChICode InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1
SMILES [C@H]12[C@@H](C[C@@H]3[C@](O1)([C@H]([C@@H]([C@H](O3)C(=O)OC)O)OC(=O)C(C)C)O)O[C@H]([C@H]2OC)n1cnc2c1ncnc2N
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
ReferenceTakiguchi,J. Antibiotics,32,(1979),857