| Entry |
|
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| Name |
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
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| Formula |
C24H23O15
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| Exact mass |
551.1037
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| Mol weight |
551.4304
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| Structure |
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| Reaction |
R07886 R07913 R07938 R10063
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.3.1.171 2.3.1.- 2.4.1.238 2.4.1.249
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16301 Delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16301 Delphinidin 3-O-(6''-O-malonyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16301 Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside
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| Other DBs |
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| KCF data |
ATOM 39
1 C8y C 25.9000 -40.8100
2 C8y C 25.9000 -39.4100
3 C8x C 24.6876 -38.7100
4 C8y C 23.4751 -39.4100
5 C8x C 23.4751 -40.8100
6 C8y C 24.6876 -41.5100
7 C8x C 27.1124 -41.5100
8 C8y C 28.3249 -40.8100
9 C8y C 28.3249 -39.4100
10 O2x O 27.1124 -38.7100 #+
11 O2a O 29.5560 -41.5210
12 C8y C 29.5560 -38.6990
13 C8x C 30.7612 -39.3947
14 C8y C 31.9735 -38.6946
15 C8y C 31.9735 -37.2946
16 C8y C 30.7683 -36.5989
17 C8x C 29.5559 -37.2990
18 O1a O 30.7685 -35.2104
19 O1a O 33.1914 -36.5912
20 O1a O 33.2051 -39.4054
21 O1a O 24.6876 -42.9098
22 O1a O 22.2440 -38.6990
23 C1y C 30.7684 -42.2210
24 C1y C 30.7687 -43.6096
25 C1y C 31.9813 -44.3094
26 C1y C 33.1936 -43.6092
27 C1y C 33.1933 -42.2206
28 O2x O 31.9807 -41.5208
29 C1b C 34.4001 -41.5235
30 O1a O 31.9815 -45.7100
31 O1a O 29.5799 -44.2966
32 O1a O 34.3962 -44.3034
33 O7a O 35.5843 -42.2068
34 C7a C 36.7724 -41.5100
35 C1b C 37.9849 -42.2100
36 C6a C 39.1973 -41.5100
37 O6a O 40.4097 -42.2100
38 O6a O 36.7677 -40.1101
39 O6a O 39.1973 -40.1100
BOND 42
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 8 11 1
13 9 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 16 18 1
21 15 19 1
22 14 20 1
23 6 21 1
24 4 22 1
25 23 11 1 #Down
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 27 29 1 #Down
33 25 30 1 #Down
34 24 31 1 #Up
35 26 32 1 #Up
36 29 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 34 38 2
42 36 39 2
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