input word = C00057634

Metabolite InformationStructural formula
Name Protogonyautoxin 3
Formula C10H17N7O12S2
Mw 491.03766052
CAS RN 89614-45-9
C_ID C00057634
InChIKey HUDHMIUZDXZZRC-XXKOCQOQSA-N
InChICode InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)/t3-,4+,5-,9-/m0/s1
SMILES N=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1C[C@@H](OS(=O)(=O)O)C3(O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gonyaulax Ref.
--Protogonyaulax spp. Ref.
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