input word = C00053091

Metabolite InformationStructural formula
Name Brevifolin
Formula C12H8O6
Mw 248.03208799
CAS RN 477-94-1
C_ID C00053091
InChIKey FXVRSKPFWVYCPN-UHFFFAOYSA-N
InChICode InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2
SMILES O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium sebiferum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaeRutaceaeZanthoxylum piperitum Ref.
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OrganismZanthoxylum piperitum
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 43A (ir)