input word = C00052295

Metabolite InformationStructural formula
Name Grandisine I
Formula C16H15NO5
Mw 301.0950226
CAS RN 87959-97-5
C_ID C00052295
InChIKey VPMIRWSZFAXDKP-UHFFFAOYSA-N
InChICode InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-11(18)13(10)15(19)9-4-5-12(22-3)16(20)14(9)17/h4-7,18,20H,1-3H3
SMILES COc1cc(O)c2c(=O)c3ccc(OC)c(O)c3n(C)c2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus maxima Ref.
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