input word = C00000293

Metabolite InformationStructural formula
Name Grandinol
Formula C13H16O5
Mw 252.09977362
CAS RN 63861-11-0
C_ID C00000293 ,
InChIKey NGJANBBWZSMYRM-UHFFFAOYSA-N
InChICode InChI=1S/C13H16O5/c1-6(2)4-9(15)10-12(17)7(3)11(16)8(5-14)13(10)18/h5-6,16-18H,4H2,1-3H3
SMILES c1(c(c(c(c(c1O)C(=O)CC(C)C)O)C)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus grandis Ref.
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