KEGG   DRUG: Benzaldehyde
Entry
D02314                      Drug                                   
Name
Benzaldehyde (NF)
Formula
C7H6O
Exact mass
106.0419
Mol weight
106.1219
Structure
Simcomp
Remark
Same as: C00261
Efficacy
Pharmaceutic aid (flavor)
Other DBs
CAS: 100-52-7
PubChem: 7849373
ChEBI: 17169
PDB-CCD: HBX[PDBj]
LigandBox: D02314
NIKKAJI: J4.010J
LinkDB
KCF data

ATOM        8
            1   C8y C    21.2198  -16.9894
            2   C8x C    20.0142  -17.6821
            3   C8x C    22.4450  -17.6821
            4   C4a C    21.2135  -15.5911
            5   C8x C    20.0142  -19.0931
            6   C8x C    22.4450  -19.0931
            7   O4a O    22.4194  -14.8921
            8   C8x C    21.2198  -19.8113
BOND        8
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     6   8 1

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