input word = C00052831

Metabolite InformationStructural formula
Name Asparaptine
Formula C10H18N4O3S2
Mw 306.08203193
CAS RN 1715940-28-5
C_ID C00052831
InChIKey RITXHUYDBJGUSD-ZETCQYMHSA-N
InChICode InChI=1S/C10H18N4O3S2/c11-10(12)13-3-1-2-7(9(16)17)14-8(15)6-4-18-19-5-6/h6-7H,1-5H2,(H,14,15)(H,16,17)(H4,11,12,13)/t7-/m0/s1
SMILES O=C(N[C@H](C(O)=O)CCCNC(N)=N)C1CSSC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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