| Entry |
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| Name |
Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside
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| Formula |
C30H31O20
|
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| Exact mass |
711.1409
|
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| Mol weight |
711.5551
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| Structure |
|
|---|
| Reaction |
R07932
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.4.1.254
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16373 Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16373 Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C16373 Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside
C16373 Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside
|
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| Other DBs |
|
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| KCF data |
ATOM 50
1 C8y C 7.5600 -16.5900
2 C8x C 7.5600 -17.9900
3 C8y C 8.7500 -18.6900
4 C8y C 9.9400 -17.9900
5 C8y C 9.9400 -16.5900
6 C8x C 8.7500 -15.8900
7 C8x C 11.2000 -18.6900
8 C8y C 12.3900 -17.9900
9 C8y C 12.3900 -16.5900
10 O2x O 11.2000 -15.8900 #+
11 C8y C 13.5800 -15.8900
12 C8x C 14.7700 -16.5900
13 C8y C 16.0300 -15.8200
14 C8y C 16.0300 -14.4200
15 C8x C 14.8400 -13.7900
16 C8x C 13.5800 -14.4900
17 O2a O 13.5800 -18.6900
18 O1a O 6.3000 -15.8900
19 O1a O 8.7500 -20.0900
20 O1a O 17.2200 -13.7200
21 C1y C 14.8400 -19.3900
22 C1y C 14.8400 -20.7900
23 C1y C 16.0300 -21.4900
24 C1y C 17.2200 -20.7900
25 C1y C 17.2200 -19.3900
26 O2x O 16.0300 -18.6900
27 C1b C 18.4100 -18.6900
28 O1a O 16.0300 -22.8900
29 O1a O 18.4800 -21.4900
30 O2a O 13.6500 -21.4900
31 O7a O 19.6700 -19.3900
32 C7a C 20.8824 -18.6900
33 C1b C 22.0949 -19.3900
34 C6a C 23.3073 -18.6900
35 O6a O 24.5197 -19.3900
36 O6a O 20.8824 -17.2902
37 O6a O 23.3073 -17.2900
38 C1y C 13.6500 -22.8900
39 C1y C 12.4376 -23.5900
40 C1y C 12.4376 -24.9900
41 C1y C 13.6500 -25.6900
42 C1y C 14.8624 -24.9900
43 O2x O 14.8624 -23.5900
44 C6a C 16.0579 -25.6804
45 O6a O 17.2453 -24.9949
46 O6a O 16.0580 -27.0897
47 O1a O 13.6500 -27.0900
48 O1a O 11.2421 -25.6804
49 O1a O 11.2421 -22.8996
50 O1a O 17.2511 -16.5048
BOND 54
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 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 32 36 2
40 34 37 2
41 38 30 1 #Down
42 38 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 42 43 1
47 38 43 1
48 42 44 1 #Down
49 44 45 1
50 44 46 2
51 41 47 1 #Up
52 40 48 1 #Down
53 39 49 1 #Up
54 13 50 1
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