input word = C00052406

Metabolite InformationStructural formula
Name Rutalinium
Formula C16H20NO4
Mw 290.13923313
CAS RN 27539-40-8
C_ID C00052406
InChIKey YNZXAOOXQYAYLT-UHFFFAOYSA-O
InChICode InChI=1S/C16H19NO4/c1-16(2)13(19)8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-16/h5-7,13,19H,8H2,1-4H3/p+1
SMILES C[N+]1=C2OC(C)(C)C(O)CC2=C(OC)C3=CC(O)=CC=C13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeRuta graveolens ssp.hortensis Ref.
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