KEGG   COMPOUND: C10417Help
Entry
C10417                      Compound                               

Name
Deguelin
Formula
C23H22O6
Exact mass
394.1416
Mol weight
394.4172
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Rotenones
    C10417  Deguelin
BRITE hierarchy
Other DBs
CAS: 522-17-8
PubChem: 12603
ChEBI: 4357
ChEMBL: CHEMBL393417
KNApSAcK: C00002522
3DMET: B03828
NIKKAJI: J6.618D
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    23.5792  -16.5527
            2   C8y C    24.8602  -15.8858
            3   C8y C    22.4792  -15.8390
            4   O2x O    23.6199  -17.9977
            5   C5x C    25.9660  -16.6112
            6   C8x C    24.8194  -14.5111
            7   C8y C    22.4386  -14.4643
            8   C2x C    21.2042  -16.4943
            9   C1y C    24.7140  -18.6586
            10  C1y C    26.0009  -17.9918
            11  O5x O    27.1886  -15.9443
            12  C8x C    23.6435  -13.7974
            13  O2x O    21.2626  -13.7506
            14  C2x C    20.1042  -15.7806
            15  C1x C    24.7431  -20.0509
            16  C8y C    27.1242  -18.7346
            17  C1z C    20.0635  -14.4117
            18  O2x O    25.8489  -20.7763
            19  C8y C    27.0833  -20.1152
            20  C8x C    28.3468  -18.0795
            21  C1a C    18.8760  -13.6921
            22  C1a C    18.8466  -15.2131
            23  C8x C    28.2532  -20.8583
            24  C8y C    29.5285  -18.8049
            25  C8y C    29.5517  -20.2031
            26  O2a O    30.7512  -18.1497
            27  O2a O    30.6458  -20.9283
            28  C1a C    31.9328  -18.8810
            29  C1a C    31.8742  -20.2732
BOND        33
            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    5  11 2
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   17  22 1
            22   19  23 1
            23   20  24 2
            24   23  25 2
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29    7  12 1
            30    9  10 1
            31   14  17 1
            32   18  19 1
            33   24  25 1

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