input word = C00002456

Metabolite InformationStructural formula
Name Chalepensin
Formula C16H14O3
Mw 254.09429431
CAS RN 13164-03-9
C_ID C00002456 ,
InChIKey FYCCCUNGXGKNJV-UHFFFAOYSA-N
InChICode InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
SMILES c12c(cc3c(c1)cc(c(=O)o3)C(C=C)(C)C)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeBoenninghausenia spp. Ref.
PlantaeRutaceaePsilopeganum sinense Ref.
PlantaeRutaceaeRuta chalepensis Ref.
PlantaeRutaceaeRuta graveolens Ref.
PlantaeRutaceaeStauranthus perforatus Ref.
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