input word = C00057565

Metabolite InformationStructural formula
Name Protogonyautoxin I
Formula C10H17N7O11S2
Mw 475.0427459
CAS RN 80173-30-4
C_ID C00057565
InChIKey OKSSKVHGKYJNLL-XXKOCQOQSA-N
InChICode InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4+,5-,9-/m0/s1
SMILES NC1=N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N=C(N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@]23N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gonyaulax Ref.
--Protogonyaulax spp. Ref.
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