input word = C00055233

Metabolite InformationStructural formula
Name Decarbamoylneosaxitoxin
Formula C9H16N6O4
Mw 272.12330304
CAS RN 68683-58-9
C_ID C00055233
InChIKey KUMXVBFFVVLQFX-PJPYAQQDSA-N
InChICode InChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)/t4-,5-,9-/m0/s1
SMILES N=C1N(O)[C@@H](CO)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Zosimus aeneus Ref.
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