KEGG   COMPOUND: C03897
Entry
C03897                      Compound                               

Name
Quercetin 3,3',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
    C03897  Quercetin 3,3',7-trissulfate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C03897  Quercetin 3,3',7-trissulfate
Other DBs
PubChem: 6629
ChEBI: 16557
KNApSAcK: C00004962
3DMET: B00650
NIKKAJI: J2.744.538A
LinkDB
KCF data

ATOM        34
            1   O2a O    34.3350  -16.6913
            2   S4a S    35.7224  -16.6913
            3   O1d O    35.7161  -18.0787
            4   O1d O    37.1098  -16.6913
            5   O1d O    35.7161  -15.2975
            6   C8y C    29.4367  -16.5559
            7   C8y C    29.4874  -18.0072
            8   C8y C    30.6388  -15.8527
            9   O2x O    28.2091  -15.8462
            10  C8y C    28.2156  -18.6721
            11  O2a O    30.6514  -18.6657
            12  C8x C    30.6323  -14.4715
            13  C8x C    31.8471  -16.5431
            14  C8y C    26.9880  -16.5622
            15  C8y C    26.9880  -17.9688
            16  O5x O    28.2156  -20.0660
            17  S4a S    32.0388  -18.6657
            18  C8x C    31.8278  -13.7620
            19  C8y C    33.0235  -15.9037
            20  C8x C    25.7732  -15.8653
            21  C8y C    25.7732  -18.6785
            22  O1d O    32.0325  -20.0532
            23  O1d O    33.4262  -18.6657
            24  O1d O    32.0325  -17.2720
            25  C8y C    33.0363  -14.4524
            26  C8y C    24.5648  -16.5622
            27  C8x C    24.5648  -17.9688
            28  O1a O    25.7668  -20.0723
            29  O1a O    34.2447  -13.7620
            30  O2a O    23.3628  -15.8653
            31  S4a S    21.9690  -15.8653
            32  O1d O    21.9690  -14.4780
            33  O1d O    20.5816  -15.8653
            34  O1d O    21.9690  -17.2592
BOND        36
            1     2   5 2
            2     1   2 1
            3     2   3 1
            4     2   4 2
            5     6   7 2
            6     6   8 1
            7     6   9 1
            8     7  10 1
            9     7  11 1
            10    8  12 1
            11    8  13 2
            12    9  14 1
            13   10  15 1
            14   10  16 2
            15   11  17 1
            16   12  18 2
            17   13  19 1
            18   14  20 1
            19   15  21 1
            20   17  22 1
            21   17  23 2
            22   17  24 2
            23   18  25 1
            24   20  26 2
            25   21  27 2
            26   21  28 1
            27   25  29 1
            28   26  30 1
            29   30  31 1
            30   31  32 1
            31   31  33 2
            32   31  34 2
            33   14  15 2
            34   19  25 2
            35   26  27 1
            36   19   1 1

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