KEGG   COMPOUND: C03898
Entry
C03898                      Compound                               

Name
Quercetin 3,4',7-trissulfate
Formula
C15H10O16S3
Exact mass
541.9131
Mol weight
542.4253
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C03898  Quercetin 3,4',7-trissulfate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C03898  Quercetin 3,4',7-trissulfate
Other DBs
PubChem: 6630
ChEBI: 28167
KNApSAcK: C00004963
3DMET: B00651
NIKKAJI: J2.744.539J
LinkDB
KCF data

ATOM        34
            1   C8y C    29.5032  -17.3040
            2   C8y C    29.4840  -18.7600
            3   C8y C    30.7091  -16.5983
            4   O2x O    28.2716  -16.5919
            5   C8y C    28.2781  -19.4270
            6   O2a O    30.7220  -19.4270
            7   C8x C    30.7026  -15.2128
            8   C8x C    31.9214  -17.2912
            9   C8y C    27.0465  -17.3103
            10  C8y C    27.0465  -18.7215
            11  O5x O    28.2781  -20.8255
            12  S4a S    32.1139  -19.4207
            13  C8y C    31.9022  -14.5009
            14  C8x C    33.1017  -16.6496
            15  C8x C    25.8213  -16.6111
            16  C8y C    25.8213  -19.4335
            17  O1d O    32.1074  -20.8127
            18  O1d O    33.5057  -19.4207
            19  O1d O    32.1074  -18.0224
            20  C8y C    33.1145  -15.1937
            21  O1a O    31.9279  -13.1860
            22  C8y C    24.6154  -17.3103
            23  C8x C    24.6154  -18.7215
            24  O1a O    25.8213  -20.8318
            25  O2a O    34.3205  -14.5009
            26  O2a O    23.4094  -16.6111
            27  S4a S    35.7188  -14.5009
            28  S4a S    22.0111  -16.6111
            29  O1d O    35.7188  -15.8927
            30  O1d O    35.7444  -13.0513
            31  O1d O    37.1107  -14.5009
            32  O1d O    22.0111  -15.2193
            33  O1d O    20.6192  -16.6111
            34  O1d O    22.0111  -18.0096
BOND        36
            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   13  21 1
            21   15  22 2
            22   16  23 2
            23   16  24 1
            24   20  25 1
            25   22  26 1
            26   25  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 2
            30   27  31 2
            31   28  32 1
            32   28  33 2
            33   28  34 2
            34    9  10 2
            35   14  20 2
            36   22  23 1

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