KEGG   COMPOUND: C17733
Entry
C17733                      Compound                               
Name
7-Oxateasterone;
(22R,23R,24S)-3beta,22,23-Trihydroxy-7-oxa-5alpha-ergostane-6-one
Formula
C28H48O5
Exact mass
464.3502
Mol weight
464.6777
Structure
Reaction
Pathway
map00905  Brassinosteroid biosynthesis
Enzyme
1.14.14.-       1.14.-.-
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0114 Brassinolides and derivatives
    C17733  7-Oxateasterone
Other DBs
PubChem: 96024063
ChEBI: 81305
NIKKAJI: J491.113J
LinkDB
KCF data

ATOM        33
            1   C1x C    18.7696  -18.3415
            2   C1y C    18.7696  -19.7541
            3   C1x C    19.9929  -20.4604
            4   C1y C    21.2164  -19.7541
            5   C1z C    21.2164  -18.3415
            6   C1x C    19.9929  -17.6352
            7   O1a O    17.5462  -20.4604
            8   C1y C    22.4586  -17.6241
            9   C1y C    23.6747  -18.3260
            10  C7x C    21.9352  -20.7530
            11  C1x C    24.0984  -19.4788
            12  O7x O    23.4510  -20.7014
            13  C1y C    24.8980  -17.6196
            14  C1z C    24.8979  -16.2070
            15  C1x C    23.6818  -15.5050
            16  C1x C    22.4585  -16.2114
            17  C1a C    21.2164  -16.9289
            18  O6a O    21.9352  -22.1656
            19  C1x C    27.3229  -17.6195
            20  C1x C    27.3228  -16.2068
            21  C1y C    26.1103  -15.5069
            22  C1a C    24.8979  -14.8070
            23  C1c C    26.1103  -14.1069
            24  C1c C    27.3081  -13.4157
            25  C1c C    28.5246  -14.1184
            26  C1c C    29.7019  -13.4391
            27  C1c C    30.8980  -14.1302
            28  C1a C    32.0854  -13.4451
            29  C1a C    30.8978  -15.5397
            30  C1a C    24.9121  -13.4154
            31  O1a O    27.3083  -12.0400
            32  C1a C    29.7023  -12.0402
            33  O1a O    28.5249  -15.5396
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1 #Up
            8     5   8 1
            9     8   9 1
            10    4  10 1
            11    9  11 1
            12   11  12 1
            13   12  10 1
            14    9  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    8  16 1
            19    5  17 1 #Up
            20   10  18 2
            21   13  19 1
            22   19  20 1
            23   20  21 1
            24   14  21 1
            25   14  22 1 #Up
            26   21  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1
            33   23  30 1 #Down
            34   24  31 1 #Up
            35   26  32 1 #Up
            36   25  33 1 #Up

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