input word = C00042646

Metabolite InformationStructural formula
Name Kirilowin B
(+)-Kirilowin B
Formula C15H20N2O13
Mw 436.09653874
CAS RN 874363-53-8
C_ID C00042646 ,
InChIKey IWNWSZVDQOEIBT-ZHSBMLCWNA-N
InChICode InChI=1S/C15H20N2O13/c1-2-9(18)29-14-13(30-11(20)4-6-17(25)26)12(21)8(28-15(14)22)7-27-10(19)3-5-16(23)24/h2,8,12-15,21-22H,1,3-7H2/t8-,12-,13+,14-,15+/m1/s1
SMILES C=CC(=O)O[C@@H]1[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](O)[C@@H](COC(=O)CC[N+](=O)[O-])O[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
PlantaeFabaceaeIndigofera kirilowii Ref.
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