| Entry |
|
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| Name |
Baicalin;
Baicalein 7-O-glucuronide
|
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| Formula |
C21H18O11
|
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| Exact mass |
446.0849
|
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| Mol weight |
446.36
|
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| Structure |
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| Reaction |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10025 Baicalin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C10025 Baicalin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C10025 Baicalin
Dietary phytochemicals [br08012.html]
Flavonoids
C10025
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C8y C 26.9062 -17.1356
2 C8y C 26.9004 -18.5075
3 O2x O 28.1030 -16.4467
4 C8x C 25.7153 -16.4407
5 C8y C 25.7153 -19.2022
6 C8y C 28.0856 -19.2080
7 C8y C 29.2881 -17.1413
8 C8y C 24.5243 -17.1356
9 C8y C 24.5243 -18.5075
10 O1a O 25.7211 -20.5741
11 C8x C 29.2824 -18.5192
12 O5x O 28.0796 -20.5800
13 C8y C 30.4849 -16.4583
14 O2a O 22.8488 -15.8162
15 O1a O 23.4733 -19.5522
16 C8x C 31.6643 -17.1589
17 C8x C 30.4849 -15.0863
18 C1y C 21.5468 -16.4467
19 C8x C 32.8670 -16.4700
20 C8x C 31.6760 -14.4033
21 O2x O 20.3617 -15.7635
22 C1y C 21.5468 -17.8245
23 C8x C 32.8729 -15.0980
24 C1y C 19.1649 -16.4467
25 C1y C 20.3617 -18.5134
26 O1a O 22.6680 -18.4434
27 C1y C 19.1649 -17.8245
28 C6a C 17.9740 -15.7635
29 O1a O 20.3676 -19.8911
30 O1a O 17.9740 -18.5192
31 O6a O 17.9798 -14.3857
32 O6a O 16.7830 -16.4467
BOND 35
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 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 8 14 1
14 9 15 1
15 13 16 2
16 13 17 1
17 18 14 1 #Up
18 16 19 1
19 17 20 2
20 18 21 1
21 18 22 1
22 19 23 2
23 21 24 1
24 22 25 1
25 22 26 1 #Down
26 24 27 1
27 24 28 1 #Up
28 25 29 1 #Up
29 27 30 1 #Down
30 28 31 1
31 28 32 2
32 7 11 2
33 8 9 1
34 20 23 1
35 25 27 1
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