| Entry |
|
|---|
| Name |
Pelargonidin 3-O-sophoroside
|
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| Formula |
C27H31O15
|
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| Exact mass |
595.1663
|
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| Mol weight |
595.526
|
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| Structure |
|
|---|
| Reaction |
R07877
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.4.1.297
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16305 Pelargonidin 3-O-sophoroside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16305 Pelargonidin 3-O-sophoroside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C16305 Pelargonidin 3-O-sophoroside
|
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| Other DBs |
|
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| KCF data |
ATOM 42
1 C8y C 35.9668 -24.3761
2 C8x C 35.9668 -25.8513
3 C8y C 37.1610 -26.5537
4 C8y C 38.4254 -25.8513
5 C8y C 38.4254 -24.3761
6 C8x C 37.1610 -23.6736
7 C8x C 39.6196 -26.5537
8 C8y C 40.8138 -25.8513
9 C8y C 40.8138 -24.3761
10 O2x O 39.6196 -23.6736 #+
11 C8y C 41.9378 -23.6736
12 C8x C 43.1320 -24.3761
13 C8x C 44.3964 -23.6736
14 C8y C 44.3964 -22.2687
15 C8x C 43.2022 -21.5662
16 C8x C 41.9378 -22.2687
17 O1a O 45.5906 -21.5662
18 O1a O 37.1610 -27.9587
19 O1a O 34.7726 -23.6736
20 O2a O 41.9378 -26.5537
21 C1y C 43.2022 -27.2562
22 C1y C 43.2022 -28.6611
23 C1y C 44.3964 -29.3636
24 C1y C 45.5906 -28.6611
25 C1y C 45.5906 -27.2562
26 O2x O 44.3964 -26.5537
27 C1b C 46.7848 -26.5537
28 O1a O 47.9790 -27.2562
29 O1a O 44.3964 -30.7685
30 O1a O 46.7848 -29.3636
31 O2a O 42.0080 -29.3636
32 C1y C 42.0080 -30.7685
33 C1y C 40.8138 -31.4710
34 C1y C 40.8138 -32.8759
35 C1y C 42.0080 -33.5784
36 C1y C 43.2022 -32.8759
37 O2x O 43.2022 -31.4710
38 C1b C 44.3964 -33.5784
39 O1a O 42.0080 -34.9833
40 O1a O 39.6196 -33.5784
41 O1a O 39.6196 -30.7685
42 O1a O 45.5901 -32.8959
BOND 46
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 3 18 1
21 1 19 1
22 8 20 1
23 21 20 1 #Down
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 26 1
30 25 27 1 #Down
31 27 28 1
32 23 29 1 #Down
33 24 30 1 #Up
34 22 31 1 #Up
35 32 31 1 #Down
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 32 37 1
42 36 38 1 #Down
43 35 39 1 #Up
44 34 40 1 #Down
45 33 41 1 #Up
46 38 42 1
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