KEGG   COMPOUND: C01156
Entry
C01156                      Compound                               

Name
Quercetin 3,4'-bissulfate
Formula
C15H10O13S2
Exact mass
461.9563
Mol weight
462.3621
Structure
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
2.8.2.27        2.8.2.28
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C01156  Quercetin 3,4'-bissulfate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C01156  Quercetin 3,4'-bissulfate
Other DBs
PubChem: 4384
ChEBI: 18030
KNApSAcK: C00004961
3DMET: B00249
NIKKAJI: J2.731.658A
LinkDB
KCF data

ATOM        30
            1   C8y C    28.1466  -17.2851
            2   C8y C    28.1210  -18.7353
            3   C8y C    29.3478  -16.5886
            4   O2x O    26.9200  -16.5823
            5   C8y C    26.9263  -19.4062
            6   O2a O    29.3606  -19.3999
            7   C8x C    29.3415  -15.2085
            8   C8x C    30.5553  -17.2786
            9   C8y C    25.6995  -17.2978
            10  C8y C    25.6995  -18.7034
            11  O5x O    26.9263  -20.7990
            12  S4a S    30.7406  -19.3934
            13  C8x C    30.5362  -14.4993
            14  C8y C    31.7309  -16.6397
            15  C8x C    24.4792  -16.6014
            16  C8y C    24.4792  -19.4127
            17  O1d O    30.7406  -20.7862
            18  O1d O    32.1334  -19.3934
            19  O1d O    30.7406  -18.0069
            20  C8y C    31.7437  -15.1893
            21  C8y C    23.2780  -17.2978
            22  C8x C    23.2780  -18.7034
            23  O1a O    24.4792  -20.7990
            24  O2a O    32.9512  -14.4993
            25  O1a O    22.0769  -16.6014
            26  S4a S    34.3314  -14.4930
            27  O1d O    34.3314  -13.1065
            28  O1d O    35.7242  -14.4930
            29  O1d O    34.3249  -15.8858
            30  O1a O    33.0413  -17.4268
BOND        32
            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   24  26 1
            26   26  27 1
            27   26  28 2
            28   26  29 2
            29    9  10 2
            30   14  20 2
            31   21  22 1
            32   14  30 1

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