input word = C00007098

Metabolite InformationStructural formula
Name Citrunobin
Formula C21H20O5
Mw 352.13107375
CAS RN 126026-23-1
C_ID C00007098 ,
InChIKey RPGWAGOTDRYEAD-RMKNXTFCSA-N
InChICode InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
SMILES COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c2c1C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus nobilis Ref.
PlantaeRutaceaeCitrus sinensis Ref.
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