| Entry |
|
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| Name |
Pelargonin;
Pelargonidin 3,5-di-beta-D-glucoside
|
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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 |
|
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| Reaction |
R07874 R07876 R07880 R07930 R10298
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.3.1.153 2.3.1.215 2.4.1.298 2.4.1.299
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C08725 Pelargonin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C08725 Pelargonin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C08725 Pelargonin
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| Other DBs |
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| KCF data |
ATOM 42
1 C8y C 28.1803 -15.8662
2 C8y C 28.1861 -14.4657
3 C8y C 26.9781 -16.5724
4 C8x C 29.3941 -16.5724
5 O2x O 29.4057 -13.7830 #+
6 C8x C 26.9781 -13.7771
7 O2a O 26.9781 -17.9263
8 C8x C 25.7644 -15.8722
9 C8y C 30.6020 -15.8838
10 C8y C 30.6137 -14.4833
11 C8y C 25.7644 -14.4657
12 C1y C 25.6476 -18.7608
13 O2a O 31.7983 -16.5841
14 C8y C 31.8100 -13.8004
15 O1a O 24.5622 -13.7713
16 O2x O 24.4513 -18.0662
17 C1y C 25.6476 -20.1496
18 C1y C 33.1989 -17.4827
19 C8x C 33.0063 -14.5007
20 C8x C 31.8159 -12.4115
21 C1y C 23.2493 -18.7608
22 C1y C 24.4513 -20.8497
23 O1a O 26.8556 -20.8497
24 O2x O 33.1872 -18.8657
25 C1y C 34.4069 -16.7999
26 C8x C 34.2143 -13.8121
27 C8x C 33.0180 -11.7172
28 C1y C 23.2493 -20.1496
29 C1b C 22.0471 -18.0662
30 O1a O 24.4513 -22.2386
31 C1y C 34.3893 -19.5719
32 C1y C 35.6032 -17.4944
33 O1a O 34.4126 -15.4112
34 C8y C 34.2200 -12.4232
35 O1a O 22.0471 -20.8497
36 O1a O 20.8450 -18.7608
37 C1y C 35.6615 -18.8890
38 C1b C 34.3776 -20.9665
39 O1a O 36.8111 -16.8175
40 O1a O 35.4280 -11.7346
41 O1a O 36.7935 -19.5952
42 O1a O 33.1696 -21.6494
BOND 46
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 6 11 2
11 12 7 1 #Up
12 9 13 1
13 10 14 1
14 11 15 1
15 12 16 1
16 12 17 1
17 18 13 1 #Up
18 14 19 2
19 14 20 1
20 16 21 1
21 17 22 1
22 17 23 1 #Down
23 18 24 1
24 18 25 1
25 19 26 1
26 20 27 2
27 21 28 1
28 21 29 1 #Up
29 22 30 1 #Up
30 24 31 1
31 25 32 1
32 25 33 1 #Down
33 26 34 2
34 28 35 1 #Down
35 29 36 1
36 31 37 1
37 31 38 1 #Up
38 32 39 1 #Up
39 34 40 1
40 37 41 1 #Down
41 38 42 1
42 8 11 1
43 9 10 1
44 22 28 1
45 27 34 1
46 32 37 1
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