input word = C00027063

Metabolite InformationStructural formula
Name Aeruginosin 298-B
Formula C24H35N3O6
Mw 461.25258587
CAS RN 249282-92-6
C_ID C00027063 ,
InChIKey PLXQHTVVRXKTTM-WKKLVMOSNA-N
InChICode InChI=1S/C24H35N3O6/c1-3-13(2)21(26-23(32)20(30)10-14-4-7-16(28)8-5-14)24(33)27-18-12-17(29)9-6-15(18)11-19(27)22(25)31/h4-5,7-8,13,15,17-21,28-30H,3,6,9-12H2,1-2H3,(H2,25,31)(H,26,32)/t13-,15+,17-,18+,19+,20-,21+/m1/s1
SMILES CCC(C)C(NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N1[C@H](C(N)=O)C[C@@H]2CC[C@@H](O)C[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg Secologanin
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-298 Ref.
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