input word = C00002766

Metabolite InformationStructural formula
Name Phenetyl caffeate
Formula C17H16O4
Mw 284.104859
CAS RN 104594-70-9
C_ID C00002766 ,
InChIKey SWUARLUWKZWEBQ-VQHVLOKHSA-N
InChICode InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
SMILES c1(c(ccc(c1)/C=C/C(=O)OCCc1ccccc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus spp. Ref.
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OrganismPopulus spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter42