input word = C00058215

Metabolite InformationStructural formula
Name Toxin B2
Formula C10H17N7O8S
Mw 395.0859313
CAS RN 82810-44-4
C_ID C00058215
InChIKey ALRRPAKWGUBPBK-HGRQIUPRSA-N
InChICode InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)/t4-,5-,10-/m0/s1
SMILES N=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1CCC3(O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Gonyaulax Ref.
--Protogonyaulax spp. Ref.
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OrganismProtogonyaulax spp.
ReferenceSchantz, E.J. et al., Biochemistry, 1966, 5, 1191-1195 (isol, bibl)