KEGG   COMPOUND: C00616
Entry
C00616                      Compound                               

Name
Quercetin 3-sulfate
Formula
C15H10O10S
Exact mass
381.9995
Mol weight
382.2989
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
2.8.2.25        2.8.2.26        2.8.2.27
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C00616  Quercetin 3-sulfate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C00616  Quercetin 3-sulfate
Other DBs
PubChem: 3890
ChEBI: 17730
ChEMBL: CHEMBL1207957
KNApSAcK: C00004956
3DMET: B00146
NIKKAJI: J87.897I
LinkDB
KCF data

ATOM        26
            1   C8y C    28.0875  -18.1661
            2   C8y C    28.0620  -19.6152
            3   C8y C    29.2876  -17.4639
            4   O2x O    26.8620  -17.4639
            5   C8y C    26.8683  -20.2855
            6   O2a O    29.3004  -20.2791
            7   C8x C    29.2813  -16.0852
            8   C8x C    30.4941  -18.1533
            9   C8y C    25.6426  -18.1726
            10  C8y C    25.6426  -19.5769
            11  O5x O    26.8683  -21.6706
            12  S4a S    30.6792  -20.2728
            13  C8x C    30.4750  -15.3830
            14  C8y C    31.6687  -17.5150
            15  C8x C    24.4234  -17.4832
            16  C8y C    24.4234  -20.2855
            17  O1d O    30.6792  -21.6580
            18  O1d O    32.0709  -20.2728
            19  O1d O    30.6792  -18.8810
            20  C8y C    31.6114  -16.0661
            21  C8y C    23.2235  -18.1726
            22  C8x C    23.2235  -19.5769
            23  O1a O    24.4234  -21.6771
            24  O1a O    32.8879  -15.3765
            25  O1a O    22.0233  -17.4832
            26  O1a O    32.9780  -18.3014
BOND        28
            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 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15   10  16 1
            16   12  17 1
            17   12  18 2
            18   12  19 2
            19   13  20 1
            20   15  21 2
            21   16  22 2
            22   16  23 1
            23   20  24 1
            24   21  25 1
            25    9  10 2
            26   14  20 2
            27   21  22 1
            28   14  26 1

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