KEGG   COMPOUND: C11049
Entry
C11049                      Compound                               

Name
24-epi-Brassinolide
Formula
C28H48O6
Exact mass
480.3451
Mol weight
480.6771
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0114 Brassinolides and derivatives
    C11049  24-epi-Brassinolide
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Ergostane
    C11049  24-epi-Brassinolide
Other DBs
PubChem: 13231
ChEBI: 27722
ChEMBL: CHEMBL563853
LIPIDMAPS: LMST01140002
KNApSAcK: C00000180
NIKKAJI: J417.937D
KCF data

ATOM        34
            1   C1y C    27.9351  -18.3281
            2   C1y C    29.1621  -17.6796
            3   C1y C    26.7663  -17.5977
            4   C1x C    28.0812  -19.7014
            5   C1z C    29.2030  -16.3063
            6   C1x C    31.5405  -17.6967
            7   C1z C    25.4632  -18.0476
            8   C1x C    26.7431  -16.2187
            9   O7x O    27.0995  -20.6830
            10  C1y C    30.4243  -15.6635
            11  C1x C    28.0401  -15.5700
            12  C1a C    29.1913  -14.9332
            13  C1x C    31.5930  -16.3941
            14  C1y C    24.9958  -19.3391
            15  C1x C    24.5808  -17.0075
            16  C7x C    25.7262  -20.5193
            17  C1c C    30.4126  -14.2962
            18  C1x C    23.6576  -19.5961
            19  C1y C    23.2311  -17.2530
            20  O6a O    24.9899  -21.6764
            21  C1c C    31.5930  -13.6126
            22  C1a C    29.2206  -13.6126
            23  C1y C    22.7695  -18.5502
            24  O1a O    22.5358  -16.0609
            25  C1c C    32.7733  -14.2904
            26  O1a O    31.5871  -12.2452
            27  O1a O    21.4372  -18.9009
            28  C1c C    33.9595  -13.6066
            29  O1a O    32.8375  -15.8678
            30  C1c C    35.1399  -14.2845
            31  C1a C    33.9537  -12.2335
            32  C1a C    36.3261  -13.6009
            33  C1a C    35.1399  -15.6518
            34  C1a C    25.4551  -16.6445
BOND        37
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 1
            9     5  11 1
            10    5  12 1 #Up
            11    6  13 1
            12    7  14 1
            13    7  15 1
            14    9  16 1
            15   10  17 1
            16   14  18 1
            17   15  19 1
            18   16  20 2
            19   17  21 1
            20   17  22 1 #Down
            21   18  23 1
            22   19  24 1 #Down
            23   21  25 1
            24   21  26 1 #Up
            25   23  27 1 #Down
            26   25  28 1
            27   25  29 1 #Up
            28   28  30 1
            29   28  31 1 #Down
            30   30  32 1
            31   30  33 1
            32    8  11 1
            33   10  13 1
            34   14  16 1
            35   19  23 1
            36    1   2 1
            37    7  34 1 #Up

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