KEGG   COMPOUND: C01155Help
Entry
C01155                      Compound                               

Name
Quercetin 3,3'-bissulfate
Formula
C15H10O13S2
Exact mass
461.9563
Mol weight
462.3621
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
2.8.2.26        2.8.2.28
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C01155  Quercetin 3,3'-bissulfate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C01155  Quercetin 3,3'-bissulfate
BRITE hierarchy
Other DBs
PubChem: 4383
ChEBI: 17875
KNApSAcK: C00004960
3DMET: B00248
NIKKAJI: J2.731.657C
KCF data Show

ATOM        30
            1   C8y C    27.9526  -16.5853
            2   C8y C    27.9274  -18.0180
            3   C8y C    29.1393  -15.8910
            4   O2x O    26.7407  -15.8846
            5   C8y C    26.7471  -18.6808
            6   O2a O    29.1519  -18.6744
            7   C8x C    29.1329  -14.5275
            8   C8x C    30.3322  -16.5727
            9   C8y C    25.5352  -16.5916
            10  C8y C    25.5352  -17.9801
            11  O5x O    26.7471  -20.0505
            12  S4a S    30.5153  -18.6682
            13  C8x C    30.3132  -13.8333
            14  C8y C    31.4936  -15.9414
            15  C8x C    24.3296  -15.9099
            16  C8y C    24.3296  -18.6808
            17  O1d O    30.5153  -20.0379
            18  O1d O    31.8912  -18.6682
            19  O1d O    30.5153  -17.2922
            20  C8y C    31.5063  -14.5087
            21  C8y C    23.1430  -16.5916
            22  C8x C    23.1430  -17.9801
            23  O1a O    24.3296  -20.0568
            24  O1a O    32.6992  -13.8270
            25  O1a O    21.9563  -15.9099
            26  O2a O    32.7883  -16.7188
            27  S4a S    34.2911  -16.7157
            28  O1d O    34.2834  -18.2258
            29  O1d O    34.2834  -15.2055
            30  O1d O    35.8012  -16.7157
BOND        32
            1     2   6 1
            2     3   7 1
            3     3   8 2
            4     4   9 1
            5     5  10 1
            6     5  11 2
            7     6  12 1
            8     7  13 2
            9     8  14 1
            10    9  15 1
            11   10  16 1
            12   12  17 1
            13   12  18 2
            14   12  19 2
            15   13  20 1
            16   15  21 2
            17   16  22 2
            18   16  23 1
            19   20  24 1
            20   21  25 1
            21    9  10 2
            22   14  20 2
            23   21  22 1
            24   14  26 1
            25    1   2 2
            26   26  27 1
            27    1   3 1
            28   27  28 1
            29    1   4 1
            30   27  29 2
            31    2   5 1
            32   27  30 2

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