| Entry |
|
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| Name |
Scolymoside;
Luteolin 7-O-neohesperidoside;
Veronicastroside
|
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| Formula |
C27H30O15
|
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| Exact mass |
594.1585
|
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| Mol weight |
594.5181
|
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| Structure |
|
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| Reaction |
R06829
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| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
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| Enzyme |
2.4.1.236
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C12630 Luteolin 7-O-neohesperidoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C12630 Scolymoside
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C12630 Scolymoside
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| Other DBs |
|
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| KCF data |
ATOM 42
1 C8y C 30.1411 -14.0087
2 C8y C 30.1353 -15.3930
3 O2x O 31.3444 -13.3254
4 C8x C 28.9613 -13.3195
5 C8y C 31.3327 -16.0823
6 C8y C 28.9613 -16.0763
7 C8y C 32.5301 -14.0146
8 C8y C 27.7580 -14.0087
9 C8x C 32.5241 -15.3988
10 O5x O 31.3268 -17.4548
11 C8x C 27.7580 -15.3930
12 O1a O 28.9613 -17.4490
13 O2a O 26.5666 -13.3137
14 C1y C 25.1239 -14.0380
15 C1y C 25.1239 -15.4105
16 O2x O 23.9383 -13.3488
17 O2a O 26.2920 -16.3800
18 C1y C 23.9383 -16.1056
19 C1y C 22.7409 -14.0380
20 C1y C 26.2920 -18.4477
21 C1y C 22.7409 -15.4105
22 O1a O 23.9440 -17.4782
23 C1b C 21.5552 -13.3488
24 C1y C 27.4836 -19.1312
25 O2x O 25.1006 -19.1312
26 O1a O 21.5552 -16.1056
27 O1a O 20.3578 -14.0321
28 C1y C 27.4836 -20.5154
29 O1a O 28.6751 -18.4477
30 C1y C 25.1006 -20.5154
31 C1y C 26.2920 -21.1988
32 O1a O 28.6751 -21.1988
33 C1a C 23.9090 -21.1988
34 O1a O 26.2920 -22.5773
35 C8y C 33.7274 -13.3371
36 C8x C 34.9072 -14.0321
37 C8x C 33.7274 -11.9646
38 C8y C 36.1046 -13.3488
39 C8x C 34.9248 -11.2811
40 C8y C 36.1105 -11.9761
41 O1a O 37.3079 -11.2870
42 O1a O 37.3114 -14.0532
BOND 46
1 4 8 2
2 5 9 1
3 5 10 2
4 6 11 2
5 6 12 1
6 8 13 1
7 14 13 1 #Up
8 14 15 1
9 14 16 1
10 15 17 1 #Down
11 15 18 1
12 16 19 1
13 20 17 1 #Up
14 18 21 1
15 18 22 1 #Up
16 19 23 1 #Up
17 20 24 1
18 20 25 1
19 21 26 1 #Down
20 23 27 1
21 24 28 1
22 24 29 1 #Down
23 25 30 1
24 28 31 1
25 28 32 1 #Down
26 30 33 1 #Down
27 31 34 1 #Up
28 7 9 2
29 8 11 1
30 19 21 1
31 30 31 1
32 7 35 1
33 1 2 2
34 1 3 1
35 1 4 1
36 2 5 1
37 2 6 1
38 3 7 1
39 35 36 2
40 35 37 1
41 36 38 1
42 37 39 2
43 38 40 2
44 40 41 1
45 39 40 1
46 38 42 1
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