KEGG   COMPOUND: C00755Help
Entry
C00755                      Compound                               

Name
4-Hydroxy-3-methoxy-benzaldehyde;
Vanillin;
Vanillaldehyde;
4-Hydroxy-3-methoxybenzaldehyde
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Mol fileKCF fileDB search
Remark
Same as: D00091
Reaction
Pathway
map00360  Phenylalanine metabolism
map00627  Aminobenzoate degradation
map01061  Biosynthesis of phenylpropanoids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Module
M00350  Capsaicin biosynthesis, L-Phenylalanine => Capsaicin
Enzyme
1.1.3.38        1.2.1.67        1.2.3.9         1.11.1.16       
1.13.11.43      4.1.2.41
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Favoring agent, Fragrance
  D00091  [107548] Vanillin
 Refresher
  D00091  [107548] Vanillin
BRITE hierarchy
Other DBs
CAS: 121-33-5
PubChem: 4017
ChEBI: 18346
ChEMBL: CHEMBL13883
KNApSAcK: C00002683 C00029531
PDB-CCD: V55[PDBj]
3DMET: B00167
NIKKAJI: J2.923H
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    25.4479  -19.7481
            2   C8x C    25.4479  -18.3491
            3   C8y C    24.2422  -20.4445
            4   O2a O    26.6595  -20.4445
            5   C8y C    24.2422  -17.6467
            6   C8x C    23.0249  -19.7481
            7   O1a O    24.2422  -21.8493
            8   C8x C    23.0249  -18.3491
            9   C4a C    24.2422  -16.2478
            10  O4a O    23.0306  -15.5455
            11  C1a C    27.8804  -19.7365
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     5   8 1
            8     5   9 1
            9     9  10 2
            10    6   8 2
            11    4  11 1

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