KEGG   COMPOUND: C10532
Entry
C10532                      Compound                               

Name
Sumatrol
Formula
C23H22O7
Exact mass
410.1366
Mol weight
410.4166
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1206 Rotenoid flavonoids
    C10532  Sumatrol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Rotenones
    C10532  Sumatrol
Other DBs
CAS: 82-10-0
PubChem: 12715
ChEBI: 9358
ChEMBL: CHEMBL518045
KNApSAcK: C00002575
3DMET: B03931
NIKKAJI: J8.611H
KCF data

ATOM        30
            1   C1y C    26.4018  -18.4803
            2   C8y C    27.5921  -19.1745
            3   C1y C    25.2174  -19.1628
            4   C5x C    26.4077  -17.0974
            5   C8y C    27.5805  -20.5398
            6   C8x C    28.7823  -18.4918
            7   O2x O    24.0213  -18.4743
            8   C1x C    25.2057  -20.5339
            9   C8y C    25.2174  -16.4031
            10  O5x O    27.6155  -16.4089
            11  C8x C    28.7590  -21.2340
            12  O2x O    26.3960  -21.2224
            13  C8y C    29.9550  -19.1919
            14  C8y C    24.0272  -17.0974
            15  C8y C    25.2174  -15.0202
            16  C8y C    29.9493  -20.5572
            17  O2a O    31.1628  -18.5034
            18  C8y C    22.8311  -16.4031
            19  C8x C    24.0272  -14.3317
            20  O1a O    26.4135  -14.3317
            21  O2a O    31.1454  -21.2574
            22  C1a C    32.3532  -19.1979
            23  C8y C    22.8369  -15.0262
            24  C1x C    21.5125  -16.8290
            25  C1a C    32.3472  -20.5748
            26  O2x O    21.5240  -14.6001
            27  C1y C    20.7130  -15.7030
            28  C2c C    19.6220  -14.7519
            29  C1a C    18.3325  -15.2421
            30  C2a C    19.6220  -13.3516
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   11  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   18  23 2
            23   18  24 1
            24   21  25 1
            25   23  26 1
            26   24  27 1
            27   27  28 1 #Down
            28   28  29 1
            29   28  30 2
            30    8  12 1
            31    9  14 2
            32   13  16 1
            33   19  23 1
            34   26  27 1

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