input word = C00028705

Metabolite InformationStructural formula
Name N-Methylmanzacidin C
Formula C13H16BrN3O4
Mw 357.03241892
CAS RN 389120-67-6
C_ID C00028705 ,
InChIKey PDJBLWWXLHVRMM-RLQDDWLSNA-N
InChICode InChI=1S/C13H16BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,7,10,15H,4,6H2,1-2H3,(H,18,19)/t10-,13-/m0/s1
SMILES N1=CN([C@@](C[C@H]1C(=O)O)(COC(=O)c1[nH]cc(c1)Br)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella brevistyla Ref.
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OrganismAxinella brevistyla
ReferenceTsukamoto,J.Nat.Prod.,64,(2001),1576