input word = C00055383

Metabolite InformationStructural formula
Name 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium
Formula C18H22NO2+
Mw 284.16505395
CAS RN 15794-93-1
C_ID C00055383
InChIKey XLWXLZKPQFKGJS-ZDUSSCGKSA-O
InChICode InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1/t13-/m0/s1
SMILES OCC1=C2CC[C@H](C)C2=C[N+](CCC3=CC=C(O)C=C3)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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