input word = C00050208

Metabolite InformationStructural formula
Name Pyridinebetaine B
Formula C7H9NO3S
Mw 187.03031389
CAS RN 24020-66-4
C_ID C00050208 ,
InChIKey YBZHOECRANRIQI-UHFFFAOYSA-N
InChICode InChI=1S/C7H10NO3S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,9,10,11)
SMILES c1ccccn1CCS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas dispar Ref.
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OrganismAgelas dispar
ReferenceCafieri,J.Nat.Prod.,61,(1998),1171