KEGG   COMPOUND: C10030
Entry
C10030                      Compound                               

Name
Chrysosplenetin;
Chrysosplenetin B;
Quercetagetin 3,6,7,3'-tetramethyl ether
Formula
C19H18O8
Exact mass
374.1002
Mol weight
374.3414
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10030  Chrysosplenetin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10030  Chrysosplenetin
Other DBs
CAS: 603-56-5
PubChem: 12216
ChEBI: 3689
ChEMBL: CHEMBL33256
KNApSAcK: C00004704
3DMET: B03473
NIKKAJI: J326.151D
KCF data

ATOM        27
            1   C8y C    23.6849  -19.5868
            2   C8y C    23.6908  -18.1883
            3   C8y C    24.8970  -20.2977
            4   C8y C    22.4788  -20.2917
            5   O2x O    24.9086  -17.4950
            6   C8x C    22.4788  -17.4891
            7   C8y C    26.1148  -19.5984
            8   O5x O    24.8911  -21.6961
            9   C8y C    21.2610  -19.5868
            10  O1a O    22.4847  -21.6961
            11  C8y C    26.1205  -18.2000
            12  C8y C    21.2610  -18.1883
            13  O2a O    27.3209  -20.3093
            14  O2a O    20.0548  -20.2917
            15  C8y C    27.3383  -17.5067
            16  O2a O    20.0548  -17.4891
            17  C1a C    28.5386  -19.6101
            18  C1a C    18.8429  -19.5868
            19  C8x C    27.3383  -16.1083
            20  C8x C    28.5445  -18.2117
            21  C1a C    18.8429  -18.1883
            22  C8y C    28.5561  -15.4090
            23  C8x C    29.7506  -17.5184
            24  C8y C    29.7564  -16.1199
            25  O2a O    28.5619  -14.0106
            26  O1a O    30.9742  -15.4207
            27  C1a C    29.7739  -13.3171
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 2
            20   16  21 1
            21   19  22 2
            22   20  23 1
            23   22  24 1
            24   22  25 1
            25   24  26 1
            26   25  27 1
            27    7  11 2
            28    9  12 1
            29   23  24 2

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