input word = C00056503

Metabolite InformationStructural formula
Name 4-Hydroxy-3-(4-hydroxybenzyl)-5-methoxybenzaldehyde
Formula C15H14O4
Mw 258.08920894
CAS RN 1141892-38-7
C_ID C00056503
InChIKey MSCCLHNNWNZJJA-UHFFFAOYSA-N
InChICode InChI=1S/C15H14O4/c1-19-14-8-11(9-16)7-12(15(14)18)6-10-2-4-13(17)5-3-10/h2-5,7-9,17-18H,6H2,1H3
SMILES COc1cc(C=O)cc(Cc2ccc(O)cc2)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeVanilla planifolia Ref.
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OrganismVanilla planifolia
ReferenceSchwarz, B. et al., J. Agric. Food Chem., 2009, 57, 3729-3737 (3-Me ether, isol, hplc, props)