KEGG   COMPOUND: C10021Help
Entry
C10021                      Compound                               

Name
Axillarin;
Quercetagetin 3,6-dimethyl ether
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10021  Axillarin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10021  Axillarin
BRITE hierarchy
Other DBs
CAS: 5188-73-8
PubChem: 12207
ChEBI: 2941
ChEMBL: CHEMBL487810
KNApSAcK: C00004684
3DMET: B03465
NIKKAJI: J13.514C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    30.0487  -17.3015
            2   C8y C    31.2634  -16.6064
            3   C8y C    30.0427  -18.7031
            4   O2x O    28.8338  -16.5889
            5   C8x C    31.2634  -15.2106
            6   C8x C    32.4667  -17.3132
            7   C8y C    28.8221  -19.3982
            8   O2a O    31.2517  -19.4099
            9   C8y C    27.6131  -17.2898
            10  C8y C    32.4783  -14.5214
            11  C8x C    33.6756  -16.6240
            12  C8y C    27.6073  -18.6914
            13  O5x O    28.8163  -20.7999
            14  C1a C    32.4607  -18.7147
            15  C8x C    26.4041  -16.5830
            16  C8y C    33.6873  -15.2280
            17  O1a O    32.4841  -13.1254
            18  C8y C    26.4041  -19.3922
            19  C8y C    25.1836  -17.2898
            20  O1a O    34.8962  -14.5331
            21  C8y C    25.1836  -18.6914
            22  O1a O    26.4041  -20.7882
            23  O1a O    23.9687  -16.5889
            24  O2a O    23.9746  -19.3922
            25  C1a C    22.7597  -18.6973
BOND        27
            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   18  21 2
            21   18  22 1
            22   19  23 1
            23   21  24 1
            24   24  25 1
            25    9  12 2
            26   11  16 2
            27   19  21 1

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