Entry |
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Name |
Pelargonidin 3,7-di-O-beta-D-glucoside
|
Formula |
C27H31O15
|
Exact mass |
595.1663
|
Mol weight |
595.526
|
Structure |
|
Reaction |
|
Pathway |
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Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20495 Pelargonidin 3,7-di-O-beta-D-glucoside
Dietary phytochemicals [br08012.html]
Flavonoids
C20495
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Other DBs |
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LinkDB |
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KCF data |
ATOM 42
1 C1y C 11.9472 -14.3134
2 C1y C 11.9472 -15.7098
3 C1y C 13.1565 -16.4081
4 C1y C 14.3659 -15.7098
5 C1y C 14.3659 -14.3134
6 O2x O 13.1565 -13.6152
7 O1a O 15.5939 -16.4190
8 O1a O 13.1565 -17.8043
9 O1a O 10.7379 -16.4081
10 C1b C 10.7379 -13.6152
11 O1a O 9.5455 -14.3039
12 C8y C 21.6814 -14.1037
13 C8y C 21.6756 -15.5008
14 C8y C 22.8981 -13.4051
15 O2x O 20.4765 -13.3934 #+
16 O2a O 22.7757 -16.1352
17 C8x C 20.4649 -16.1934
18 C8x C 24.1088 -14.1095
19 C8x C 22.8981 -12.0023
20 C8y C 19.2599 -14.0920
21 C1y C 24.0855 -16.9036
22 C8y C 19.2540 -15.4891
23 C8x C 25.3255 -13.4107
24 C8x C 24.1147 -11.3038
25 C8x C 18.0490 -13.3877
26 O2x O 24.0855 -18.2947
27 C1y C 25.2965 -16.2050
28 C8y C 18.0490 -16.1876
29 C8y C 25.3313 -12.0079
30 C8y C 16.8382 -14.0920
31 C1y C 25.2965 -18.9932
32 C1y C 26.4955 -16.9036
33 O1a O 25.2965 -14.8138
34 C8x C 16.8382 -15.4891
35 O1a O 18.0490 -17.5787
36 O1a O 26.5362 -11.3153
37 O2a O 15.6333 -13.3993
38 C1y C 26.4955 -18.2947
39 C1b C 25.2965 -20.3846
40 O1a O 27.7062 -16.2050
41 O1a O 27.7062 -18.9875
42 O1a O 24.0914 -21.0832
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Down
8 3 8 1 #Up
9 2 9 1 #Down
10 1 10 1 #Up
11 10 11 1
12 12 13 1
13 12 14 1
14 12 15 2
15 13 16 1
16 13 17 2
17 14 18 2
18 14 19 1
19 15 20 1
20 21 16 1 #Up
21 17 22 1
22 18 23 1
23 19 24 2
24 20 25 1
25 21 26 1
26 21 27 1
27 22 28 1
28 23 29 2
29 25 30 2
30 26 31 1
31 27 32 1
32 27 33 1 #Down
33 28 34 2
34 28 35 1
35 29 36 1
36 30 37 1
37 31 38 1
38 31 39 1 #Up
39 32 40 1 #Up
40 38 41 1 #Down
41 39 42 1
42 20 22 2
43 24 29 1
44 30 34 1
45 32 38 1
46 5 37 1 #Up
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