| Entry |
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| Name |
Quercetin 3-O-(6-O-malonyl-beta-D-glucoside);
Quercetin 3-O-malonylglucoside;
Quercetin-3-O-(6''-malonylglucoside)
|
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| Formula |
C24H22O15
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| Exact mass |
550.0959
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| Mol weight |
550.4225
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| Structure |
|
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| Reaction |
R06797
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| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
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| Enzyme |
2.3.1.116
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C12638 Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C12638 Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C12638 Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
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| Other DBs |
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| KCF data |
ATOM 39
1 O2a O 30.0106 -16.9119
2 C1y C 31.3246 -17.6828
3 O2x O 31.3246 -19.0784
4 C1y C 32.5394 -16.9820
5 C1y C 32.5394 -19.7792
6 C1y C 33.7423 -17.6828
7 O1a O 32.5394 -15.5864
8 C1y C 33.7423 -19.0784
9 C1b C 32.5394 -21.1751
10 O1a O 34.9569 -16.9820
11 O1a O 34.9569 -19.7735
12 O7a O 31.3305 -21.8758
13 C7a C 30.1193 -21.1795
14 C1b C 28.9104 -21.8802
15 C6a C 27.6992 -21.1837
16 O6a O 30.1167 -19.7823
17 O6a O 27.6968 -19.7865
18 O6a O 26.4905 -21.8845
19 C8y C 23.9715 -14.7941
20 C8x C 23.9715 -16.1913
21 C8y C 25.1845 -16.8899
22 C8x C 25.1845 -14.0955
23 C8y C 26.3903 -14.7941
24 C8y C 26.3842 -16.1913
25 C8y C 27.5912 -16.8950
26 C8y C 28.8742 -16.2016
27 C8y C 28.8102 -14.8044
28 O2x O 27.6032 -14.1008
29 C8y C 30.0231 -14.1111
30 C8x C 31.2263 -14.8180
31 C8y C 32.5094 -14.1247
32 C8y C 32.4454 -12.7275
33 C8x C 31.2384 -12.0238
34 C8x C 30.0255 -12.7171
35 O1a O 33.6583 -12.0341
36 O5x O 27.5852 -18.2921
37 O1a O 25.1877 -18.2870
38 O1a O 22.7618 -14.0948
39 O1a O 33.6464 -14.8283
BOND 42
1 5 9 1 #Up
2 6 10 1 #Up
3 8 11 1 #Down
4 9 12 1
5 6 8 1
6 12 13 1
7 2 1 1 #Up
8 13 14 1
9 2 3 1
10 14 15 1
11 2 4 1
12 13 16 2
13 3 5 1
14 15 17 1
15 4 6 1
16 15 18 2
17 4 7 1 #Down
18 5 8 1
19 25 26 1
20 25 36 2
21 26 27 2
22 21 37 1
23 27 28 1
24 19 38 1
25 28 23 1
26 27 29 1
27 19 20 2
28 20 21 1
29 21 24 2
30 23 22 2
31 22 19 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 31 39 1
37 33 34 2
38 34 29 1
39 23 24 1
40 32 35 1
41 24 25 1
42 26 1 1
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