input word = C00031128

Metabolite InformationStructural formula
Name Raocyclamide A
Formula C27H30N6O5S
Mw 550.19983884
CAS RN 174846-65-2
C_ID C00031128 ,
InChIKey PNCLWRPJCHTJRB-SJZBZZEXNA-N
InChICode InChI=1S/C27H30N6O5S/c1-4-14(2)21-27-32-20(13-39-27)24(36)29-17(10-16-8-6-5-7-9-16)26-31-18(12-38-26)22(34)28-15(3)25-30-19(11-37-25)23(35)33-21/h5-9,11,13-15,17-18,21H,4,10,12H2,1-3H3,(H,28,34)(H,29,36)(H,33,35)/t14-,15-,17+,18+,21-/m0/s1
SMILES o1c2nc(c1)C(=O)N[C@H](c1nc(cs1)C(=O)N[C@@H](C1=N[C@@H](C(=O)N[C@H]2C)CO1)Cc1ccccc1)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Oscillatoria raoi Ref.
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OrganismOscillatoria raoi
ReferenceHarada,Chem.Pharm.Bull.,52,(2004),889