KEGG   COMPOUND: C08890
Entry
C08890                      Compound                               
Name
Convallagenin A
Formula
C27H44O5
Exact mass
448.3189
Mol weight
448.63
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0108 Spirostanols and derivatives
    C08890  Convallagenin A
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08890  Convallagenin A
Other DBs
CAS: 17149-95-0
PubChem: 11083
ChEBI: 3862
LIPIDMAPS: LMST01080034
KNApSAcK: C00003567
NIKKAJI: J9.075A
LinkDB
KCF data

ATOM        32
            1   C1z C    31.5150  -17.2005
            2   C1y C    29.1912  -17.2005
            3   O2x O    31.5150  -18.5549
            4   C1x C    32.6826  -17.8777
            5   O2x O    31.5150  -15.8577
            6   C1y C    29.1855  -18.5433
            7   C1a C    28.2338  -16.2430
            8   C1y C    30.3590  -19.2322
            9   C1x C    33.8444  -17.2005
            10  C1x C    32.6826  -15.1804
            11  C1z C    28.0177  -19.2031
            12  C1x C    30.3939  -20.5750
            13  C1y C    33.8444  -15.8577
            14  C1y C    28.0003  -20.5459
            15  C1x C    26.8559  -18.5258
            16  C1a C    28.0120  -17.8543
            17  C1a C    35.0178  -15.1804
            18  C1y C    26.8385  -21.2114
            19  C1x C    25.6825  -19.1856
            20  C1y C    25.6708  -20.5342
            21  C1x C    26.8385  -22.5601
            22  C1z C    24.5032  -21.1997
            23  C1x C    25.6591  -23.2314
            24  C1z C    24.4973  -22.5485
            25  C1y C    23.3414  -20.5284
            26  C1a C    24.4915  -19.8512
            27  C1x C    23.3414  -23.2257
            28  O1a O    24.4798  -23.8970
            29  C1x C    22.1679  -21.1997
            30  O1a O    23.3238  -19.1739
            31  C1y C    22.1679  -22.5485
            32  O1a O    21.0002  -23.2257
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   11  15 1
            15   11  16 1 #Up
            16   13  17 1 #Up
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   24  27 1
            27   24  28 1 #Up
            28   25  29 1
            29   25  30 1 #Up
            30   27  31 1
            31   31  32 1 #Up
            32    6   8 1
            33   10  13 1
            34   12  14 1
            35   19  20 1
            36   23  24 1
            37   29  31 1

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