input word = C00027809

Metabolite InformationStructural formula
Name Aeruginosin 102-A
Formula C33H44N6O11S
Mw 732.27887702
CAS RN 17357-14-7
C_ID C00027809 ,
InChIKey GIQUSRUOIKSAJD-MKGXLSGTNA-N
InChICode InChI=1S/C33H44N6O11S/c34-33(35)38-13-1-2-24(31(38)45)36-29(43)27-16-20-7-10-22(41)17-26(20)39(27)32(46)25(14-18-3-8-21(40)9-4-18)37-30(44)28(42)15-19-5-11-23(12-6-19)50-51(47,48)49/h3-6,8-9,11-12,20,22,24-28,31,40-42,45H,1-2,7,10,13-17H2,(H3,34,35)(H,36,43)(H,37,44)(H,47,48,49)/t20-,22+,24-,25+,26-,27-,28+,31-/m0/s1
SMILES c1c(ccc(c1)C[C@H](C(=O)N[C@H](Cc1ccc(cc1)O)C(=O)N1[C@@H](C[C@H]2[C@@H]1C[C@@H](CC2)O)C(=O)N[C@@H]1[C@@H](N(CCC1)C(=N)N)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Microcystis viridis Ref.
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