| Entry |
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| Name |
Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)
|
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| Formula |
C30H27O15
|
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| Exact mass |
627.135
|
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| Mol weight |
627.5264
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| Structure |
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| Reaction |
R07926
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.3.1.215
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16367 Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16367 Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16367 Delphinidin 3-O-(6-caffeoyl-beta-D-glucoside)
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| Other DBs |
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| KCF data |
ATOM 45
1 C8y C 9.9932 -17.1909
2 C8y C 9.9932 -15.7933
3 C8x C 8.8052 -15.0945
4 C8y C 7.5474 -15.7933
5 C8x C 7.5474 -17.1909
6 C8y C 8.8052 -17.8898
7 C8x C 11.1113 -17.8898
8 C8y C 12.3692 -17.1909
9 C8y C 12.3692 -15.7933
10 O2x O 11.1113 -15.0945 #+
11 O1a O 8.8052 -19.2874
12 O1a O 6.3594 -15.0945
13 C8y C 13.5572 -15.0945
14 C8x C 14.7452 -15.7933
15 C8y C 16.0730 -15.0945
16 C8y C 16.0730 -13.6969
17 C8y C 14.8151 -12.9980
18 C8x C 13.5572 -13.6969
19 O1a O 17.2609 -12.9980
20 O2a O 13.5572 -17.8898
21 C1y C 14.7452 -18.5886
22 C1y C 14.7452 -20.0561
23 C1y C 15.9332 -20.7549
24 C1y C 17.1911 -20.0561
25 C1y C 17.1911 -18.5886
26 O2x O 15.9332 -17.8898
27 C1b C 18.3791 -17.8898
28 O1a O 15.9332 -22.1526
29 O1a O 13.4873 -20.7549
30 O1a O 18.3791 -20.7549
31 O7a O 19.5671 -18.5886
32 C7a C 20.7550 -17.9596
33 C2b C 21.9430 -18.6585
34 C2b C 23.2009 -17.9596
35 C8y C 24.3889 -18.6585
36 O6a O 20.7550 -16.5620
37 C8x C 24.3889 -20.0561
38 C8x C 25.5769 -20.7549
39 C8y C 26.7649 -20.0561
40 C8y C 26.7649 -18.6585
41 C8x C 25.5769 -17.9596
42 O1a O 28.0228 -20.7549
43 O1a O 27.9529 -17.9596
44 O1a O 14.8151 -11.6004
45 O1a O 17.2609 -15.8632
BOND 49
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 20 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 22 29 1 #Up
33 24 30 1 #Up
34 27 31 1
35 31 32 1
36 32 33 1
37 33 34 2
38 34 35 1
39 32 36 2
40 35 37 2
41 37 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 35 41 1
46 39 42 1
47 40 43 1
48 17 44 1
49 15 45 1
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