| Entry |
|
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| Name |
Apigenin 7-(6''-malonylglucoside);
Apigenin 7-O-(6-malonyl-beta-D-glucoside)
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| Formula |
C24H22O13
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| Exact mass |
518.106
|
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| Mol weight |
518.4237
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| Structure |
|
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| Reaction |
R06821
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| Enzyme |
2.3.1.115
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10020 Apigenin 7-(6''-malonylglucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C10020 Apigenin 7-(6''-malonylglucoside)
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C10020 Apigenin 7-(6''-malonylglucoside)
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| Other DBs |
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| KCF data |
ATOM 37
1 C8y C 27.7023 -16.2553
2 C8y C 27.7084 -14.8609
3 C8y C 28.8992 -16.9587
4 C8y C 26.5053 -16.9524
5 O2x O 28.9115 -14.1760
6 C8x C 26.5053 -14.1699
7 C8x C 30.1147 -16.2614
8 O5x O 28.8931 -18.3531
9 C8x C 25.2959 -16.2553
10 O1a O 26.5053 -18.3470
11 C8y C 30.1209 -14.8733
12 C8y C 25.2959 -14.8609
13 C8y C 31.3301 -14.1822
14 O2a O 24.0928 -14.1636
15 C8x C 32.5272 -14.8856
16 C8x C 31.3301 -12.7939
17 C1y C 22.6305 -14.9595
18 C8x C 33.7366 -14.2007
19 C8x C 32.5395 -12.1029
20 O2x O 21.4274 -14.2685
21 C1y C 22.6305 -16.3541
22 C8y C 33.7426 -12.8063
23 C1y C 20.2241 -14.9595
24 C1y C 21.4274 -17.0512
25 O1a O 23.8337 -17.0512
26 O1a O 34.9520 -12.1090
27 C1y C 20.2241 -16.3541
28 C1b C 19.1752 -14.2193
29 O1a O 21.4335 -18.4456
30 O1a O 19.0149 -17.0512
31 O7a O 17.8055 -14.9595
32 C7a C 16.6024 -14.2685
33 C1b C 15.3930 -14.9595
34 O6a O 16.6024 -12.8741
35 C6a C 14.1899 -14.2685
36 O6a O 14.1899 -12.8741
37 O6a O 12.9867 -14.9595
BOND 40
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 4 10 1
10 5 11 1
11 6 12 2
12 11 13 1
13 12 14 1
14 13 15 2
15 13 16 1
16 17 14 1 #Up
17 15 18 1
18 16 19 2
19 17 20 1
20 17 21 1
21 18 22 2
22 20 23 1
23 21 24 1
24 21 25 1 #Down
25 22 26 1
26 23 27 1
27 23 28 1 #Up
28 24 29 1 #Up
29 27 30 1 #Down
30 28 31 1
31 31 32 1
32 32 33 1
33 32 34 2
34 33 35 1
35 35 36 1
36 35 37 2
37 7 11 2
38 9 12 1
39 19 22 1
40 24 27 1
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