KEGG   COMPOUND: C16592
Entry
C16592                      Compound                               
Name
Atropaldehyde;
2-Phenylpropenal
Formula
C9H8O
Exact mass
132.0575
Mol weight
132.1592
Structure
Reaction
R08308
Pathway
map00982  Drug metabolism - cytochrome P450
Other DBs
PubChem: 51090919
ChEBI: 80590
NIKKAJI: J337.792J
LinkDB
KCF data

ATOM        10
            1   C2c C    26.1040  -21.2274
            2   C8y C    26.1156  -19.8331
            3   C2a C    24.8906  -21.9215
            4   C4a C    27.3173  -21.9275
            5   C8x C    24.9023  -19.1274
            6   C8x C    27.3290  -19.1331
            7   O4a O    28.5305  -21.2332
            8   C8x C    24.9023  -17.7217
            9   C8x C    27.3348  -17.7274
            10  C8x C    26.1215  -17.0274
BOND        10
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     4   7 2
            7     5   8 1
            8     6   9 2
            9     8  10 2
            10    9  10 1

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