KEGG   DRUG: Ethyl vanillinHelp
Entry
D01086                      Drug                                   

Name
Ethyl vanillin (NF)
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Activity
Pharmaceutic aid (flavor)
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Favoring agent, Fragrance
  D01086  [102555] Ethyl vanillin
 Refresher
  D01086  [102555] Ethyl vanillin
BRITE hierarchy
Other DBs
CAS: 
121-32-4
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
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KCF data Show

ATOM        12
            1   C8x C    18.7854  -16.6459
            2   C8x C    18.7699  -18.0469
            3   C8y C    19.9764  -18.7574
            4   C8y C    21.1984  -18.0739
            5   C8x C    21.2139  -16.6728
            6   C8y C    20.0074  -15.9553
            7   C4a C    20.0230  -14.5543
            8   O2a O    22.3974  -18.7889
            9   O1a O    19.9608  -20.1584
            10  O4a O    21.2450  -13.8708
            11  C1b C    23.6134  -18.1082
            12  C1a C    24.8173  -18.8193
BOND        12
            1     6   1 2
            2     6   7 1
            3     1   2 1
            4     4   8 1
            5     2   3 2
            6     3   9 1
            7     3   4 1
            8     7  10 2
            9     4   5 2
            10    8  11 1
            11    5   6 1
            12   11  12 1

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