KEGG   COMPOUND: C11132
Entry
C11132                      Compound                               
Name
2-Methoxyestrone 3-glucuronide
Formula
C25H32O9
Exact mass
476.2046
Mol weight
476.5162
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C11132  2-Methoxyestrone 3-glucuronide
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C11132  2-Methoxyestrone 3-glucuronide
Other DBs
CAS: 25577-70-2
PubChem: 13314
ChEBI: 37450
LIPIDMAPS: LMST05010010 LMST05020010
3DMET: B04206
NIKKAJI: J2.773.451K
LinkDB
KCF data

ATOM        34
            1   C1y C    26.0202  -18.4526
            2   O2x O    24.8070  -17.7543
            3   C1y C    23.5958  -18.4558
            4   C1y C    23.5976  -19.8556
            5   C1y C    24.8107  -20.5539
            6   C1y C    26.0221  -19.8524
            7   C1y C    31.9926  -15.0037
            8   C1y C    33.2140  -15.6473
            9   C8y C    30.8571  -15.6611
            10  C1x C    31.9788  -13.6252
            11  C1y C    34.4003  -14.9840
            12  C1x C    33.2140  -17.0190
            13  C8y C    30.8446  -17.0376
            14  C8x C    29.6359  -14.9840
            15  C1x C    33.1595  -12.9560
            16  C1z C    34.4003  -13.6437
            17  C1x C    32.0598  -17.7286
            18  C8x C    29.6359  -17.7206
            19  C8y C    28.4680  -15.6611
            20  C8y C    28.4680  -17.0526
            21  O2a O    27.3139  -14.9690
            22  O2a O    27.2338  -17.7680
            23  C1a C    27.3496  -13.6042
            24  O1a O    27.2324  -20.5491
            25  O1a O    22.3890  -20.5556
            26  O1a O    24.8126  -21.9505
            27  C6a C    22.3852  -17.7592
            28  O6a O    22.3835  -16.3626
            29  O6a O    21.1767  -18.4590
            30  C1x C    36.8252  -14.9840
            31  C1x C    36.8252  -13.6437
            32  C5x C    35.6127  -12.9437
            33  C1a C    34.4003  -12.2437
            34  O5x O    35.6128  -11.5501
BOND        38
            1     3   4 1
            2     7   8 1
            3     7   9 1
            4     7  10 1
            5     8  11 1
            6     8  12 1
            7     9  13 2
            8     9  14 1
            9    10  15 1
            10   11  16 1
            11   12  17 1
            12   13  18 1
            13   14  19 2
            14   18  20 2
            15   19  21 1
            16   20  22 1
            17   21  23 1
            18   13  17 1
            19   15  16 1
            20   19  20 1
            21    1  22 1 #Up
            22    4   5 1
            23    6  24 1 #Down
            24    5   6 1
            25    4  25 1 #Down
            26    6   1 1
            27    5  26 1 #Up
            28    3  27 1 #Up
            29    1   2 1
            30   27  28 1
            31    2   3 1
            32   27  29 2
            33   11  30 1
            34   30  31 1
            35   31  32 1
            36   16  32 1
            37   16  33 1 #Up
            38   32  34 2

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