KEGG   COMPOUND: C10514
Entry
C10514                      Compound                               

Name
(-)-Phaseollin;
Phaseolin
Formula
C20H18O4
Exact mass
322.1205
Mol weight
322.3545
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C10514  (-)-Phaseollin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C10514  (-)-Phaseollin
Other DBs
CAS: 13401-40-6
PubChem: 12697
ChEBI: 108 17556
ChEMBL: CHEMBL448350
KNApSAcK: C00002559
3DMET: B03917
NIKKAJI: J21.676C
KCF data

ATOM        24
            1   C8y C    30.1880  -16.6836
            2   C8y C    30.7716  -15.4172
            3   C8y C    30.9993  -17.8218
            4   O2x O    28.8045  -16.5320
            5   C1y C    29.7326  -14.4774
            6   C8x C    32.1608  -15.2828
            7   C8y C    32.3825  -17.6876
            8   C2x C    30.4214  -19.0827
            9   C1y C    28.5186  -15.1602
            10  C1x C    29.7384  -13.0882
            11  C8x C    32.9661  -16.4211
            12  O2x O    33.1880  -18.8316
            13  C2x C    31.2210  -20.2208
            14  C8y C    27.3278  -14.4657
            15  O2x O    28.5418  -12.3819
            16  C1z C    32.6042  -20.0923
            17  C8y C    27.3336  -13.0765
            18  C8x C    26.1372  -15.1545
            19  C1a C    33.9993  -20.7286
            20  C1a C    32.1841  -21.5108
            21  C8x C    26.1372  -12.3761
            22  C8x C    24.9347  -14.4657
            23  C8y C    24.9347  -13.0765
            24  O1a O    23.7324  -12.3761
BOND        28
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   14  17 2
            17   14  18 1
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   21  23 2
            23   23  24 1
            24    5   9 1
            25    7  11 1
            26   13  16 1
            27   15  17 1
            28   22  23 1

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