KEGG   COMPOUND: C10537
Entry
C10537                      Compound                               

Name
Toxicarol;
alpha-Toxicarol
Formula
C23H22O7
Exact mass
410.1366
Mol weight
410.4166
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1206 Rotenoid flavonoids
    C10537  Toxicarol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Rotenones
    C10537  Toxicarol
Other DBs
CAS: 82-09-7
PubChem: 12720
ChEBI: 9643
ChEMBL: CHEMBL508992
KNApSAcK: C00002580 C00029676
3DMET: B03936
NIKKAJI: J10.501E
KCF data

ATOM        30
            1   C1y C    26.0228  -17.9727
            2   C8y C    27.2074  -18.6730
            3   C1y C    24.8148  -18.6497
            4   C5x C    26.0345  -16.5898
            5   C8y C    27.2541  -20.0445
            6   C8x C    28.3978  -18.0078
            7   O2x O    23.6885  -17.9494
            8   C1x C    24.8031  -20.0269
            9   C8y C    24.8382  -15.8836
            10  O5x O    27.2424  -15.9069
            11  C8x C    28.3570  -20.7448
            12  O2x O    25.9935  -20.7272
            13  C8y C    29.5767  -18.7081
            14  C8y C    23.6302  -16.5664
            15  C8y C    24.8439  -14.4949
            16  C8y C    29.6233  -20.0736
            17  O2a O    30.7846  -18.0311
            18  C8y C    22.5039  -15.8719
            19  C8x C    23.6419  -13.8003
            20  O1a O    26.0519  -13.8120
            21  O2a O    30.7437  -20.7913
            22  C1a C    31.9809  -18.7431
            23  C8y C    22.4396  -14.4832
            24  C2x C    21.2376  -16.5722
            25  C1a C    31.9576  -20.1086
            26  O2x O    21.2376  -13.7946
            27  C2x C    20.0354  -15.8719
            28  C1z C    20.0354  -14.4832
            29  C1a C    18.8333  -13.7946
            30  C1a C    18.7749  -15.3992
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 2
            27   26  28 1
            28   28  29 1
            29   28  30 1
            30    8  12 1
            31    9  14 2
            32   13  16 1
            33   19  23 1
            34   27  28 1

» Japanese version

DBGET integrated database retrieval system