KEGG   COMPOUND: C13625Help
Entry
C13625                      Compound                               

Name
4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene
Formula
C18H20O2
Exact mass
268.1463
Mol weight
268.3502
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00363  Bisphenol degradation
map01120  Microbial metabolism in diverse environments
Other DBs
CAS: 13464-24-9
PubChem: 586243
ChEBI: 31129
NIKKAJI: J53.476E
KCF data Show

ATOM        20
            1   C8y C    31.3280  -16.9825
            2   C8x C    31.3847  -18.3756
            3   C8x C    32.5224  -19.0833
            4   C8y C    33.7391  -18.3914
            5   C8x C    33.7483  -16.9917
            6   C8x C    32.5406  -16.2838
            7   O1a O    34.9468  -19.0991
            8   C8x C    24.0555  -16.9316
            9   C8y C    24.0475  -18.3314
            10  C8x C    25.2586  -19.0382
            11  C8x C    26.4707  -18.3453
            12  C8y C    26.4787  -16.9455
            13  C8x C    25.2747  -16.2387
            14  O1a O    22.8317  -19.0248
            15  C2c C    27.6954  -16.2534
            16  C1b C    28.9031  -16.9613
            17  C2a C    27.7045  -14.8539
            18  C1d C    30.1198  -16.2692
            19  C1a C    31.3242  -15.5556
            20  C1a C    30.0893  -14.7226
BOND        21
            1     6   1 1
            2     8   9 2
            3     9  10 1
            4    10  11 2
            5    11  12 1
            6    12  13 2
            7    13   8 1
            8     9  14 1
            9     4   7 1
            10   12  15 1
            11    1   2 2
            12   15  16 1
            13    2   3 1
            14   15  17 2
            15    3   4 2
            16   16  18 1
            17   18   1 1
            18    4   5 1
            19   18  19 1
            20    5   6 2
            21   18  20 1

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