| Entry |
|
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| Name |
Ononin;
Formononetin 7-O-glucoside
|
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| Formula |
C22H22O9
|
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| Exact mass |
430.1264
|
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| Mol weight |
430.40
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C10509 Ononin
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Isoflavones
C10509 Ononin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Isoflavones
C10509 Ononin
Dietary phytochemicals [br08012.html]
Flavonoids
C10509
|
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| Other DBs |
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| LinkDB |
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| KCF data |
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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