KEGG   COMPOUND: C12458Help
Entry
C12458                      Compound                               

Name
3-Dimethylallyl-4-hydroxybenzoate
Formula
C12H14O3
Exact mass
206.0943
Mol weight
206.2378
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00401  Novobiocin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
1.13.12.23      6.3.1.15
Other DBs
PubChem: 582848
ChEBI: 31111 74155
ChEMBL: CHEMBL452154
3DMET: B04523
NIKKAJI: J438.852F
KCF data Show

ATOM        15
            1   C6a C    27.0428  -14.1290
            2   C8y C    28.2507  -14.8343
            3   O6a O    27.0428  -12.7312
            4   C8x C    28.2565  -16.2381
            5   C8x C    29.4597  -14.1347
            6   C8y C    29.4654  -16.9365
            7   C8x C    30.6734  -14.8286
            8   C8y C    30.6793  -16.2323
            9   C1b C    29.4654  -18.3332
            10  O1a O    31.8869  -16.9177
            11  C2b C    30.6793  -19.0385
            12  C2c C    30.6793  -20.4365
            13  C1a C    31.8869  -21.1347
            14  C1a C    29.4654  -21.1347
            15  O6a O    25.8142  -14.8392
BOND        15
            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
            15    1  15 1

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