| Entry |
|
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| Name |
Malonylapiin;
Apigenin 7-O-[beta-D-apiosyl-(1->2)-(6-malonyl-beta-D-glucoside)]
|
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| Formula |
C29H30O17
|
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| Exact mass |
650.1483
|
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| Mol weight |
650.5383
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| Structure |
|
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| Reaction |
R04618
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| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
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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
C05622 Malonylapiin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C05622 Malonylapiin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C05622 Malonylapiin
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| Other DBs |
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| KCF data |
ATOM 46
1 C8y C 29.7222 -31.5277
2 C8y C 29.7398 -32.9317
3 O2x O 30.9631 -30.8752
4 C8x C 28.5454 -30.7819
5 C8y C 30.8525 -33.6718
6 C8y C 28.4464 -33.5842
7 C8y C 32.1518 -31.6267
8 C8y C 27.3044 -31.4461
9 C8x C 32.1635 -33.0250
10 O5x O 30.8701 -35.0758
11 C8x C 27.3277 -32.8444
12 O1a O 28.3997 -34.9825
13 C8y C 33.4626 -30.9684
14 O2a O 26.1157 -30.7003
15 C8x C 33.4392 -29.5701
16 C8x C 34.5812 -31.7140
17 C1y C 24.9040 -29.9954
18 C8x C 34.6802 -28.9117
19 C8x C 35.8163 -31.0499
20 C1y C 23.6863 -30.6886
21 O2x O 24.9099 -28.5971
22 C8y C 35.8629 -29.6516
23 O2a O 23.6863 -32.0928
24 C1y C 22.4803 -29.9895
25 C1y C 23.6980 -27.8863
26 O1a O 37.0982 -29.0050
27 C1y C 22.3522 -32.5181
28 C1y C 22.4803 -28.5854
29 O1a O 21.2626 -30.6886
30 C1b C 23.7039 -26.4880
31 C1y C 21.9151 -33.8524
32 O2x O 21.2102 -31.6966
33 O1a O 21.2685 -27.8806
34 O7a O 22.4919 -25.7831
35 C1z C 20.5170 -33.8524
36 O1a O 22.7366 -34.9884
37 C1x C 20.0799 -32.5181
38 C7a C 22.4919 -24.3907
39 C1b C 19.6896 -34.9884
40 O1a O 21.1519 -35.0991
41 C1b C 21.2859 -23.6916
42 O6a O 23.7039 -23.6973
43 O1a O 18.2972 -34.8428
44 C6a C 21.2918 -22.2990
45 O6a O 22.4978 -21.6058
46 O6a O 20.0858 -21.5999
BOND 50
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1
12 7 13 1
13 8 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 #Down
23 20 24 1
24 21 25 1
25 22 26 1
26 27 23 1 #Up
27 24 28 1
28 24 29 1 #Up
29 25 30 1 #Up
30 27 31 1
31 27 32 1
32 28 33 1 #Down
33 30 34 1
34 31 35 1
35 31 36 1 #Down
36 32 37 1
37 34 38 1
38 35 39 1 #Up
39 35 40 1 #Down
40 38 41 1
41 38 42 2
42 39 43 1
43 41 44 1
44 44 45 1
45 44 46 2
46 7 9 2
47 8 11 2
48 19 22 1
49 25 28 1
50 35 37 1
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