input word = C00038370

Metabolite InformationStructural formula
Name Aerucyclamide D
Formula C26H30N6O4S3
Mw 586.14906568
CAS RN 1091615-28-9
C_ID C00038370 ,
InChIKey MLBROOJXUZKDHY-ZCIAAKBMNA-N
InChICode InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
SMILES C1[C@@H]2N=C(S1)[C@@H](NC(=O)c1nc(sc1)CNC(=O)[C@@H]1[C@H](OC(=N1)[C@@H](NC2=O)Cc1ccccc1)C)CCSC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa PCC 7806 Ref.
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