KEGG   COMPOUND: C10112Help
Entry
C10112                      Compound                               

Name
Nobiletin;
Hexamethoxyflavone;
5,6,7,8,3',4'-Hexamethoxyflavone
Formula
C21H22O8
Exact mass
402.1315
Mol weight
402.3946
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C10112  Nobiletin
BRITE hierarchy
Other DBs
CAS: 478-01-3
PubChem: 12298
ChEBI: 7602
ChEMBL: CHEMBL76447
KNApSAcK: C00001076
3DMET: B03550
NIKKAJI: J12.548B
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    25.8080  -30.0980
            2   C8y C    25.8139  -28.6939
            3   C8y C    24.6019  -30.7972
            4   C8y C    27.0200  -30.8031
            5   C8y C    24.6019  -27.9948
            6   O2x O    27.0316  -28.0005
            7   C8y C    23.3901  -30.0980
            8   O2a O    24.5378  -32.2015
            9   C8x C    28.2377  -30.1040
            10  O5x O    27.0140  -32.2072
            11  C8y C    23.3901  -28.6939
            12  O2a O    24.5378  -26.5964
            13  C8y C    28.2434  -28.7056
            14  O2a O    22.1782  -30.7972
            15  C1a C    23.3960  -32.9005
            16  O2a O    22.1782  -27.9948
            17  C1a C    23.3901  -25.8915
            18  C8y C    29.4612  -28.0122
            19  C1a C    20.9662  -30.0980
            20  C1a C    20.9722  -28.6939
            21  C8x C    29.4612  -26.6140
            22  C8x C    30.6672  -28.7173
            23  C8y C    30.6789  -25.9148
            24  C8x C    31.8791  -28.0238
            25  C8y C    31.8850  -26.6255
            26  O2a O    30.6847  -24.5164
            27  O2a O    33.1027  -25.9265
            28  C1a C    31.8966  -23.8230
            29  C1a C    34.3088  -26.6255
BOND        31
            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     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   16  20 1
            20   18  21 1
            21   18  22 2
            22   21  23 2
            23   22  24 1
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29    7  11 1
            30    9  13 2
            31   24  25 2

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