| Entry |
|
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| Name |
Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
|
|---|
| Formula |
C42H47O22
|
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| Exact mass |
903.2559
|
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| Mol weight |
903.8094
|
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| Structure |
|
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| Reaction |
R07900 R07901
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.1.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16292 Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16292 Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C16292 Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside
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| Other DBs |
|
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| KCF data |
ATOM 64
1 C8y C 33.5587 -27.2002
2 C8y C 33.5587 -25.7962
3 C8x C 32.4355 -25.0942
4 C8y C 31.1719 -25.7962
5 C8x C 31.1719 -27.2002
6 C8y C 32.4355 -27.9021
7 C8x C 34.6818 -27.9021
8 C8y C 35.9454 -27.2002
9 C8y C 35.9454 -25.7962
10 O2x O 34.6818 -25.0942 #+
11 O2a O 32.4355 -29.3060
12 O1a O 29.9786 -25.0942
13 C8y C 37.1386 -25.0942
14 C8x C 38.3320 -25.7962
15 C8y C 39.5956 -25.0942
16 C8y C 39.5956 -23.6903
17 C8x C 38.4022 -22.9884
18 C8x C 37.1386 -23.6903
19 O1a O 40.7889 -22.9884
20 O2a O 37.1386 -27.9021
21 C1y C 31.2422 -30.0081
22 O2x O 30.0488 -29.3060
23 C1y C 28.7852 -30.0081
24 C1y C 28.7852 -31.4822
25 C1y C 29.9786 -32.1842
26 C1y C 31.2422 -31.4822
27 C1b C 27.5217 -29.3060
28 O1a O 26.3283 -30.0081
29 O1a O 27.5217 -32.1842
30 O1a O 29.9786 -33.5881
31 O1a O 32.4355 -32.1842
32 C1y C 38.4022 -28.6041
33 C1y C 38.4022 -29.9379
34 C1y C 39.5956 -30.6398
35 C1y C 40.7889 -29.9379
36 C1y C 40.7889 -28.6041
37 O2x O 39.5956 -27.9021
38 O1a O 42.0525 -30.6398
39 O1a O 37.1386 -30.7100
40 C1b C 42.0525 -27.9021
41 O1a O 39.5956 -32.0437
42 O2a O 43.2459 -28.5339
43 C1y C 44.4392 -27.9021
44 C1y C 45.6326 -28.5339
45 C1y C 46.8259 -27.8319
46 C1y C 46.8259 -26.4280
47 C1y C 45.6326 -25.7962
48 O2x O 44.4392 -26.4982
49 C1a C 45.6326 -24.3923
50 O7a O 48.0193 -25.7261
51 O1a O 48.0193 -28.6041
52 O1a O 45.6326 -29.9379
53 C7a C 49.2125 -26.4982
54 C2b C 50.4761 -25.7962
55 C2b C 51.6695 -26.4982
56 C8y C 52.8628 -25.7962
57 O6a O 49.2125 -27.9021
58 C8x C 54.0562 -26.4280
59 C8x C 55.3198 -25.7261
60 C8y C 55.3198 -24.3221
61 C8x C 54.1264 -23.6903
62 C8x C 52.8628 -24.3923
63 O1a O 56.5131 -23.6201
64 O1a O 40.8048 -25.8059
BOND 70
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 6 11 1
13 4 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 8 20 1
23 21 11 1 #Up
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 23 27 1 #Up
31 27 28 1
32 24 29 1 #Down
33 25 30 1 #Up
34 26 31 1 #Down
35 32 20 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 35 38 1 #Up
43 33 39 1 #Up
44 36 40 1 #Down
45 34 41 1 #Down
46 40 42 1
47 43 42 1 #Down
48 43 44 1
49 44 45 1
50 45 46 1
51 46 47 1
52 47 48 1
53 43 48 1
54 47 49 1 #Up
55 46 50 1 #Down
56 45 51 1 #Up
57 44 52 1 #Up
58 50 53 1
59 53 54 1
60 54 55 2
61 55 56 1
62 53 57 2
63 56 58 2
64 58 59 1
65 59 60 2
66 60 61 1
67 61 62 2
68 56 62 1
69 60 63 1
70 15 64 1
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