input word = C00016865

Metabolite InformationStructural formula
Name 3097B1
Formula C15H21NO4
Mw 279.14705817
CAS RN 139755-62-7
C_ID C00016865 ,
InChIKey HOTSKSXDTYBKBM-UHFFFAOYNA-N
InChICode InChI=1S/C15H21NO4/c1-3-14(18)20-15-12(16-9-13(15)17)8-10-4-6-11(19-2)7-5-10/h4-7,12-13,15-17H,3,8-9H2,1-2H3/t12-,13-,15-/m1/s1
SMILES CCC(=O)OC1C(O)CNC1Cc1ccc(OC)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces SA3097 Ref.
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