| Entry |
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| Name |
Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside;
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3'-O-beta-D-glucoside
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| Formula |
C30H33O20
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| Exact mass |
713.1565
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| Mol weight |
713.571
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| Structure |
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| Reaction |
R07913 R07914
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.4.1.238 2.4.1.249
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16304 Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16304 Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16304 Delphinidin 3-O-(6''-O-malonyl)-beta-glucoside-3'-O-beta-glucoside
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| Other DBs |
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| KCF data |
ATOM 50
1 C8y C 33.5300 -29.6800
2 C8x C 33.5300 -31.1500
3 C8y C 34.7200 -31.8500
4 C8y C 35.9800 -31.1500
5 C8y C 35.9800 -29.6800
6 C8x C 34.7200 -28.9800
7 C8x C 37.1700 -31.8500
8 C8y C 38.3600 -31.1500
9 C8y C 38.3600 -29.6800
10 O2x O 37.1700 -28.9800 #+
11 C8y C 39.5500 -28.9800
12 C8x C 40.7400 -29.6800
13 C8y C 42.0000 -28.9800
14 C8y C 42.0000 -27.5800
15 C8y C 40.8100 -26.8800
16 C8x C 39.5500 -27.5800
17 O2a O 40.8100 -25.4800
18 O1a O 43.1200 -26.8800
19 O1a O 43.1200 -29.6800
20 O1a O 34.7200 -33.2500
21 O1a O 32.3400 -28.9800
22 O2a O 39.5500 -31.8500
23 C1y C 39.6200 -24.7800
24 O2x O 39.6200 -23.3800
25 C1y C 38.4300 -22.6800
26 C1y C 37.1700 -23.3800
27 C1y C 37.1700 -24.7800
28 C1y C 38.4300 -25.4800
29 C1b C 38.4300 -21.2800
30 O1a O 39.6200 -20.6500
31 O1a O 35.9800 -22.6800
32 O1a O 35.9800 -25.4800
33 O1a O 38.4300 -26.8800
34 C1y C 40.7400 -32.5500
35 C1y C 40.7400 -33.8800
36 C1y C 41.9300 -34.5800
37 C1y C 43.1900 -33.8800
38 C1y C 43.1900 -32.5500
39 O2x O 41.9300 -31.8500
40 C1b C 44.3800 -31.8500
41 O7a O 45.5700 -32.5500
42 O1a O 44.3800 -34.5800
43 O1a O 41.9300 -35.9800
44 O1a O 39.4800 -34.6500
45 C7a C 46.8300 -31.8500
46 C1b C 48.0200 -32.5500
47 O6a O 46.8300 -30.3800
48 C6a C 49.2800 -31.8500
49 O6a O 50.4700 -32.5500
50 O6a O 49.2800 -30.4500
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 15 17 1
20 14 18 1
21 13 19 1
22 3 20 1
23 1 21 1
24 8 22 1
25 23 17 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 25 29 1 #Up
33 29 30 1
34 26 31 1 #Down
35 27 32 1 #Up
36 28 33 1 #Down
37 34 22 1 #Down
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 38 39 1
43 34 39 1
44 38 40 1 #Down
45 40 41 1
46 37 42 1 #Up
47 36 43 1 #Down
48 35 44 1 #Up
49 41 45 1
50 45 46 1
51 45 47 2
52 46 48 1
53 48 49 1
54 48 50 2
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