input word = C00055293

Metabolite InformationStructural formula
Name 5-De-O-methyltoddanol
Formula C15H16O5
Mw 276.09977362
CAS RN 126622-57-9
C_ID C00055293
InChIKey LMUSYGSJXWROBU-UHFFFAOYSA-N
InChICode InChI=1S/C15H16O5/c1-8(2)11(16)6-10-12(19-3)7-13-9(15(10)18)4-5-14(17)20-13/h4-5,7,11,16,18H,1,6H2,2-3H3
SMILES C=C(C)C(O)Cc1c(OC)cc2oc(=O)ccc2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus grandis Ref.
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OrganismCitrus grandis
ReferenceSpath, E. et al., Ber., 1938, 71, 1825

Chem. Ber., 1939, 72, 53 (struct)