input word = C00049844

Metabolite InformationStructural formula
Name trans-Caffeic acid stearyl ester
Formula C27H44O4
Mw 432.32395989
CAS RN 69573-60-0
C_ID C00049844 ,
InChIKey QYVZEPLDLPYECM-XUTLUUPISA-N
InChICode InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)21-19-24-18-20-25(28)26(29)23-24/h18-21,23,28-29H,2-17,22H2,1H3/b21-19+
SMILES c1c(c(cc(c1)/C=C/C(=O)OCCCCCCCCCCCCCCCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa Ref.
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