KEGG   COMPOUND: C08719Help
Entry
C08719                      Compound                               

Name
Sophoranone
Formula
C30H36O4
Exact mass
460.2614
Mol weight
460.6044
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C08719  Sophoranone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavanones
    C08719  Sophoranone
BRITE hierarchy
Other DBs
CAS: 23057-55-8
PubChem: 10912
ChEBI: 9199
ChEMBL: CHEMBL3314594
KNApSAcK: C00001005
3DMET: B02352
NIKKAJI: J16.243D
KCF data Show

ATOM        34
            1   C8y C    20.3274  -16.9942
            2   C8y C    20.3217  -18.3923
            3   C8y C    19.1216  -16.2952
            4   O2x O    21.5449  -16.3009
            5   C5x C    21.5333  -19.1029
            6   C8x C    19.1216  -19.0971
            7   C8y C    17.9042  -16.9942
            8   C1b C    19.1275  -14.8971
            9   C1y C    22.7567  -17.0059
            10  C1x C    22.7450  -18.4040
            11  O5x O    21.5275  -20.5069
            12  C8x C    17.9042  -18.3923
            13  O1a O    16.6925  -16.2952
            14  C2b C    20.3333  -14.1923
            15  C2c C    20.3333  -12.7942
            16  C1a C    21.5508  -12.0952
            17  C1a C    19.1275  -12.0952
            18  C8y C    23.9676  -16.3161
            19  C8x C    25.1800  -17.0176
            20  C8x C    23.9742  -14.9145
            21  C8y C    26.3974  -16.3243
            22  C8y C    25.1917  -14.2155
            23  C8y C    26.4033  -14.9262
            24  C1b C    27.6032  -17.0292
            25  C1b C    25.1974  -12.8175
            26  O1a O    27.6208  -14.2271
            27  C2b C    28.8150  -16.3359
            28  C2b C    26.4149  -12.1242
            29  C2c C    30.0266  -17.0409
            30  C2c C    26.4207  -10.7204
            31  C1a C    31.2441  -16.3476
            32  C1a C    30.0208  -18.4388
            33  C1a C    27.6382  -10.0213
            34  C1a C    25.2091  -10.0154
BOND        36
            1     7  12 1
            2     9  10 1
            3     9  18 1 #Down
            4     1   2 2
            5     1   3 1
            6     1   4 1
            7     2   5 1
            8     2   6 1
            9     3   7 2
            10    3   8 1
            11    4   9 1
            12    5  10 1
            13    5  11 2
            14    6  12 2
            15    7  13 1
            16    8  14 1
            17   14  15 2
            18   15  16 1
            19   15  17 1
            20   18  19 2
            21   18  20 1
            22   19  21 1
            23   20  22 2
            24   21  23 2
            25   21  24 1
            26   22  25 1
            27   23  26 1
            28   24  27 1
            29   25  28 1
            30   27  29 2
            31   28  30 2
            32   29  31 1
            33   29  32 1
            34   30  33 1
            35   30  34 1
            36   22  23 1

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