input word = C00042645

Metabolite InformationStructural formula
Name Kirilowin A
(+)-Kirilowin A
Formula C18H23N3O16
Mw 537.10783171
CAS RN 874363-52-7
C_ID C00042645 ,
InChIKey IUZMPVCSOLDVAB-VIOKMQTLNA-N
InChICode InChI=1S/C18H23N3O16/c1-2-11(22)35-17-16(37-14(25)5-8-21(31)32)15(36-13(24)4-7-20(29)30)10(34-18(17)26)9-33-12(23)3-6-19(27)28/h2,10,15-18,26H,1,3-9H2/t10-,15-,16+,17-,18+/m1/s1
SMILES C=CC(=O)O[C@@H]1[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](COC(=O)CC[N+](=O)[O-])O[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeFabaceaeIndigofera kirilowii Ref.
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