KEGG   COMPOUND: C08448
Entry
C08448                      Compound                               
Name
Eutypine;
4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde
Formula
C12H10O2
Exact mass
186.0681
Mol weight
186.2066
Structure
Other DBs
CAS: 121007-17-8
PubChem: 10641
KNApSAcK: C00001282
NIKKAJI: J391.841F
LinkDB
KCF data

ATOM        14
            1   C8y C    26.7400  -19.8800
            2   C8x C    26.7400  -18.4800
            3   C8y C    25.5500  -20.5800
            4   C3b C    28.0000  -20.5800
            5   C8y C    25.5500  -17.7800
            6   C8x C    24.3600  -19.8800
            7   O1a O    25.5500  -21.9800
            8   C3b C    29.1900  -21.2800
            9   C8x C    24.3600  -18.4800
            10  C4a C    25.5500  -16.3800
            11  C2c C    30.3800  -21.9800
            12  O4a O    24.3600  -15.6800
            13  C1a C    31.6400  -21.2800
            14  C2a C    30.3800  -23.3800
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     3   7 1
            7     4   8 3
            8     5   9 2
            9     5  10 1
            10    8  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 2
            14    6   9 1

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