KEGG   COMPOUND: C17735
Entry
C17735                      Compound                               
Name
7-Oxatyphasterol;
(22R,23R,24S)-3alpha,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
    C17735  7-Oxatyphasterol
Other DBs
PubChem: 96024065
ChEBI: 185407
NIKKAJI: J491.112A
LinkDB
KCF data

ATOM        33
            1   C1x C    19.1800  -18.4100
            2   C1y C    19.1800  -19.8100
            3   C1x C    20.4400  -20.5100
            4   C1y C    21.6300  -19.8100
            5   C1z C    21.6300  -18.4100
            6   C1x C    20.4400  -17.7800
            7   O1a O    17.9900  -20.5100
            8   C1y C    22.8200  -17.7100
            9   C1y C    24.0100  -18.4100
            10  C7x C    22.3300  -20.7900
            11  C1x C    24.4300  -19.5300
            12  O7x O    23.8000  -20.7900
            13  C1y C    25.2700  -17.7100
            14  C1z C    25.2700  -16.3800
            15  C1x C    24.0100  -15.6800
            16  C1x C    22.8200  -16.3800
            17  C1a C    21.6300  -17.0800
            18  O6a O    22.3300  -22.1900
            19  C1x C    27.6500  -17.7100
            20  C1x C    27.6500  -16.3800
            21  C1y C    26.4600  -15.6800
            22  C1a C    25.2700  -14.9800
            23  C1c C    26.4600  -14.2800
            24  C1c C    27.5800  -13.5800
            25  C1c C    28.7700  -14.2800
            26  C1c C    29.9600  -13.6500
            27  C1c C    31.1500  -14.2800
            28  C1a C    32.2700  -13.6500
            29  C1a C    31.1500  -15.6800
            30  C1a C    25.2700  -13.5800
            31  O1a O    27.5800  -12.2500
            32  C1a C    29.9600  -12.2500
            33  O1a O    28.7700  -15.6800
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 #Down
            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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