KEGG   DRUG: D00091Help
Entry
D00091                      Drug                                   

Name
Vanillin (NF)
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.1473
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Pharmaceutic aid [flavor]
Remark
Same as: 
Brite
Pharmaceutical additives [BR:br08316]
 Favoring agent, Fragrance
  D00091  [107548] Vanillin
 Refresher
  D00091  [107548] Vanillin
BRITE hierarchy
Other DBs
CAS: 
121-33-5
PubChem: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
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    27.8796  -19.7351
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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