KEGG   COMPOUND: C19559
Entry
C19559                      Compound                               

Name
(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
Formula
C20H18O3
Exact mass
306.1256
Mol weight
306.3551
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
Other DBs
CAS: 86941-58-4
PubChem: 124490231
ChEBI: 82558
KCF data

ATOM        23
            1   C8x C    18.0347  -19.0171
            2   C8x C    18.0347  -20.4206
            3   C8x C    19.2277  -21.1223
            4   C8y C    20.4908  -20.4206
            5   C8y C    20.4908  -19.0171
            6   C8x C    19.2277  -18.3154
            7   C8y C    21.6837  -21.1223
            8   C8y C    22.8767  -20.4206
            9   C8y C    22.8767  -19.0171
            10  C8y C    21.6837  -18.3154
            11  C8x C    24.1398  -21.1223
            12  C8x C    25.3327  -20.4206
            13  C8y C    25.3327  -19.0171
            14  C8y C    24.1398  -18.3154
            15  C1y C    26.5257  -18.3154
            16  C1y C    26.5257  -16.9119
            17  C1y C    25.3327  -16.2102
            18  C1y C    24.1398  -16.9119
            19  C1a C    21.6837  -16.9119
            20  C1a C    21.6837  -22.5258
            21  O1a O    27.7186  -16.2102
            22  O1a O    27.7186  -19.0171
            23  O2x O    24.1398  -15.5119
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   14  18 1
            22   10  19 1
            23    7  20 1
            24   16  21 1 #Down
            25   15  22 1 #Up
            26   18  23 1 #Down
            27   17  23 1 #Down

» Japanese version

DBGET integrated database retrieval system