input word = C00004731

Metabolite InformationStructural formula
Name Limocitrin
Formula C17H14O8
Mw 346.06886743
CAS RN 489-33-8
C_ID C00004731 ,
InChIKey IBXCKSUZOFKGSB-UHFFFAOYSA-N
InChICode InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeErica cinerea Ref.
PlantaeFabaceaeCoronilla valentina Ref.
PlantaeFabaceaeLotus corniculatus Ref.
PlantaeRosaceaeDryas octopetala Ref.
PlantaeRutaceaeCitrus limon Ref.
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