input word = C00027774

Metabolite InformationStructural formula
Name 7-epi-Cylindrospermopsin
(-)-Epicyclindrospermopsin
Formula C15H21N5O7S
Mw 415.11616879
CAS RN 265652-18-4
C_ID C00027774 ,
InChIKey LHJPHMKIGRLKDR-JXGMUXQINA-N
InChICode InChI=1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13+/m1/s1
SMILES C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(=O)[nH]c(=O)[nH]3)N=C3NC[C@H]1N32
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeAphanizomenon ovalisporum Ref.
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