KEGG   COMPOUND: C10031Help
Entry
C10031                      Compound                               

Name
Chrysosplenol C;
Quercetagetin 3,7,3'-trimethyl ether
Formula
C18H16O8
Exact mass
360.0845
Mol weight
360.3148
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10031  Chrysosplenol C
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10031  Chrysosplenol C
BRITE hierarchy
Other DBs
CAS: 23370-16-3
PubChem: 12217
ChEBI: 3690
ChEMBL: CHEMBL483031
KNApSAcK: C00001031
3DMET: B03474
NIKKAJI: J19.793I
KCF data Show

ATOM        26
            1   C8y C    26.0856  -18.1824
            2   C8y C    27.3030  -17.4893
            3   C8y C    26.0797  -19.5803
            4   O2x O    24.8740  -17.4776
            5   C8x C    27.3030  -16.0913
            6   C8x C    28.5087  -18.1940
            7   C8y C    24.8623  -20.2793
            8   O2a O    27.2913  -20.2910
            9   C8y C    23.6566  -18.1707
            10  C8y C    28.5204  -15.3924
            11  C8x C    29.7202  -17.5010
            12  C8y C    23.6508  -19.5687
            13  O5x O    24.8566  -21.6830
            14  C1a C    28.5087  -19.5920
            15  C8x C    22.4510  -17.4717
            16  C8y C    29.7261  -16.1030
            17  O2a O    28.4561  -13.9944
            18  C8y C    22.4510  -20.2736
            19  C8y C    21.2336  -18.1707
            20  O1a O    30.9433  -15.4040
            21  C1a C    29.7376  -13.3013
            22  C8y C    21.2336  -19.5687
            23  O1a O    22.4510  -21.6773
            24  O2a O    20.0279  -17.4717
            25  O1a O    20.0279  -20.2736
            26  C1a C    18.8105  -18.1707
BOND        28
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   10  17 1
            17   12  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   22  25 1
            25   24  26 1
            26    9  12 2
            27   11  16 2
            28   19  22 1

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