| Entry |
|
|---|
| Name |
Cyanidin 3-glucoside 5-caffeoylglucoside
|
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| Formula |
C36H37O19
|
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| Exact mass |
773.1929
|
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| Mol weight |
773.6676
|
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| Structure |
|
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| Reaction |
R07931
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.3.1.153
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16372 Cyanidin 3-glucoside 5-caffeoylglucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16372 Cyanidin 3-glucoside 5-caffeoylglucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C16372 Cyanidin 3-glucoside 5-caffeoylglucoside
|
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| Other DBs |
|
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| KCF data |
ATOM 55
1 C8y C 17.7800 -14.4900
2 C8x C 17.7800 -15.8900
3 C8y C 18.9700 -16.5900
4 C8y C 20.1600 -15.8900
5 C8y C 20.1600 -14.4900
6 C8x C 18.9700 -13.7900
7 C8x C 21.4200 -16.5900
8 C8y C 22.6100 -15.8900
9 C8y C 22.6100 -14.4900
10 O2x O 21.4200 -13.7900 #+
11 C8y C 23.8000 -13.7900
12 C8x C 24.9900 -14.4900
13 C8y C 26.2500 -13.7200
14 C8y C 26.2500 -12.3200
15 C8x C 25.0600 -11.6900
16 C8x C 23.8000 -12.3900
17 O2a O 23.8000 -16.5900
18 O1a O 16.5200 -13.7900
19 O2a O 18.9700 -17.9900
20 O1a O 27.4400 -11.6200
21 C1y C 25.0600 -17.2900
22 C1y C 25.0600 -18.6900
23 C1y C 26.2500 -19.3900
24 C1y C 27.4400 -18.6900
25 C1y C 27.4400 -17.2900
26 O2x O 26.2500 -16.5900
27 C1b C 28.6300 -16.5900
28 O1a O 26.2500 -20.7900
29 O1a O 28.7000 -19.3900
30 O1a O 23.8700 -19.3900
31 O1a O 29.8900 -17.2900
32 C1y C 17.7800 -18.6900
33 O2x O 16.5200 -17.9900
34 C1y C 15.3300 -18.6900
35 C1y C 15.3300 -20.0900
36 C1y C 16.5200 -20.7900
37 C1y C 17.7800 -20.0900
38 O1a O 16.5200 -22.1900
39 C1b C 14.0700 -17.9900
40 O7a O 12.8800 -18.6900
41 O1a O 14.0700 -20.7900
42 O1a O 18.9700 -20.7900
43 C7a C 11.6900 -17.9900
44 C2b C 10.5000 -18.6900
45 C2b C 9.3100 -17.9900
46 C8y C 8.0500 -18.6900
47 O6a O 11.6900 -16.5900
48 C8x C 6.8600 -17.9900
49 C8y C 5.6700 -18.6900
50 C8y C 5.6700 -20.0900
51 C8x C 6.8600 -20.7900
52 C8x C 8.0500 -20.0900
53 O1a O 4.4100 -20.7900
54 O1a O 27.4400 -14.4200
55 O1a O 4.4800 -17.9900
BOND 60
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 8 17 1
20 1 18 1
21 3 19 1
22 14 20 1
23 21 17 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 23 28 1 #Down
32 24 29 1 #Up
33 22 30 1 #Up
34 27 31 1
35 32 19 1 #Up
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 #Up
43 34 39 1 #Up
44 39 40 1
45 35 41 1 #Down
46 37 42 1 #Down
47 40 43 1
48 43 44 1
49 44 45 2
50 45 46 1
51 43 47 2
52 46 48 2
53 48 49 1
54 49 50 2
55 50 51 1
56 51 52 2
57 46 52 1
58 50 53 1
59 13 54 1
60 49 55 1
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