KEGG   COMPOUND: C10117Help
Entry
C10117                      Compound                               

Name
Pachypodol;
Quercetin 3,7,3'-trimethyl ether
Formula
C18H16O7
Exact mass
344.0896
Mol weight
344.3154
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10117  Pachypodol
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10117  Pachypodol
BRITE hierarchy
Other DBs
CAS: 33708-72-4
PubChem: 12303
ChEBI: 70007
ChEMBL: CHEMBL165180
KNApSAcK: C00004646
3DMET: B03555
NIKKAJI: J23.593H
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    30.0758  -17.6398
            2   C8y C    31.2930  -16.9467
            3   C8y C    30.0700  -19.0375
            4   O2x O    28.8644  -16.9350
            5   C8x C    31.2930  -15.5489
            6   C8x C    32.4986  -17.6515
            7   C8y C    28.8527  -19.7364
            8   O2a O    31.2814  -19.7481
            9   C8y C    27.6471  -17.6282
            10  C8y C    32.5103  -14.8500
            11  C8x C    33.7101  -16.9583
            12  C8y C    27.6414  -19.0258
            13  O5x O    28.8470  -21.1401
            14  C1a C    32.4986  -19.0492
            15  C8x C    26.4415  -16.9293
            16  C8y C    33.7159  -15.5605
            17  O2a O    32.4462  -13.4521
            18  C8y C    26.4415  -19.7307
            19  C8y C    25.2243  -17.6282
            20  O1a O    34.9332  -14.8616
            21  C1a C    33.7275  -12.7591
            22  C8x C    25.2243  -19.0258
            23  O1a O    26.4415  -21.1342
            24  O2a O    24.0186  -16.9293
            25  C1a C    22.8014  -17.6282
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   17  21 1
            21   18  22 2
            22   18  23 1
            23   19  24 1
            24   24  25 1
            25    9  12 2
            26   11  16 2
            27   19  22 1

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