KEGG   COMPOUND: C12459
Entry
C12459                      Compound                               
Name
3-Dimethylallyl-4-hydroxybenzaldehyde
Formula
C12H14O2
Exact mass
190.0994
Mol weight
190.24
Structure
Reaction
R06761 R06762 R06763
Pathway
map00401  Novobiocin biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 582849
ChEBI: 31110
NIKKAJI: J1.891.160D
LinkDB
KCF data

ATOM        14
            1   C4a C    25.5754  -16.7454
            2   C8y C    26.7844  -17.4514
            3   O4a O    25.5754  -15.3460
            4   C8x C    26.7901  -18.8564
            5   C8x C    27.9947  -16.7512
            6   C8y C    28.0004  -19.5555
            7   C8x C    29.2094  -17.4457
            8   C8y C    29.2153  -18.8506
            9   C1b C    28.0004  -20.9535
            10  O1a O    30.4243  -19.5369
            11  C2b C    29.2153  -21.6597
            12  C2c C    29.2153  -23.0591
            13  C1a C    30.4243  -23.7580
            14  C1a C    28.0004  -23.7580
BOND        14
            1     1   2 1
            2     1   3 2
            3     2   4 1
            4     2   5 2
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     6   9 1
            9     8  10 1
            10    9  11 1
            11   11  12 2
            12   12  13 1
            13   12  14 1
            14    7   8 2

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