KEGG   COMPOUND: C10509Help
Entry
C10509                      Compound                               

Name
Ononin;
Formononetin 7-O-glucoside
Formula
C22H22O9
Exact mass
430.1264
Mol weight
430.4047
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
2.3.1.115       2.4.1.170
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10509  Ononin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10509  Ononin
BRITE hierarchy
Other DBs
CAS: 486-62-4
PubChem: 12692
ChEBI: 7775
ChEMBL: CHEMBL465980
KNApSAcK: C00002553
3DMET: B03912
NIKKAJI: J12.916J
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    29.5502  -16.5843
            2   C8y C    29.5559  -15.1920
            3   C8y C    30.7560  -17.2833
            4   C8x C    28.3560  -17.2774
            5   C8x C    28.3560  -14.4930
            6   O2x O    30.7677  -14.4989
            7   C8y C    31.9618  -16.5960
            8   O5x O    30.7501  -18.6814
            9   C8x C    27.1443  -16.5843
            10  C8y C    27.1443  -15.1920
            11  C8x C    31.9676  -15.1979
            12  C8y C    33.1676  -17.2950
            13  O2a O    25.9328  -14.4872
            14  C8x C    33.1560  -18.6871
            15  C8x C    34.3735  -16.6017
            16  C1y C    24.4823  -15.1979
            17  C8x C    34.3618  -19.3919
            18  C8x C    35.5734  -17.3067
            19  O2x O    23.2765  -14.4989
            20  C1y C    24.4823  -16.5901
            21  C8y C    35.5676  -18.6988
            22  C1y C    22.0707  -15.1979
            23  C1y C    23.2765  -17.2891
            24  O1a O    25.6881  -17.2891
            25  O2a O    36.7733  -19.3978
            26  C1y C    22.0707  -16.5901
            27  C1b C    20.8591  -14.4989
            28  O1a O    23.2823  -18.6814
            29  C1a C    37.9850  -18.7105
            30  O1a O    20.8591  -17.2891
            31  O1a O    19.6533  -15.1979
BOND        34
            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 2
            9     5  10 2
            10    6  11 1
            11    7  12 1
            12   10  13 1
            13   12  14 2
            14   12  15 1
            15   16  13 1 #Up
            16   14  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 1
            20   17  21 2
            21   19  22 1
            22   20  23 1
            23   20  24 1 #Down
            24   21  25 1
            25   22  26 1
            26   22  27 1 #Up
            27   23  28 1 #Up
            28   25  29 1
            29   26  30 1 #Down
            30   27  31 1
            31    7  11 2
            32    9  10 1
            33   18  21 1
            34   23  26 1

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