Entry |
|
Name |
Delphinidin 3-O-beta-D-sambubioside
|
Formula |
C26H29O16
|
Exact mass |
597.1456
|
Mol weight |
597.4989
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20491 Delphinidin 3-O-beta-D-sambubioside
Dietary phytochemicals [br08012.html]
Flavonoids
C20491
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 42
1 C1y C 22.9560 -15.1189
2 O2x O 22.9560 -16.4700
3 C1x C 24.1263 -17.1457
4 C1y C 25.2965 -16.4700
5 C1y C 25.2965 -15.1189
6 C1y C 24.1263 -14.4433
7 O1a O 26.4848 -17.1562
8 O1a O 26.4848 -14.4327
9 O1a O 24.1263 -13.0922
10 C8y C 17.1104 -14.2179
11 C8y C 17.1048 -15.5742
12 C8y C 18.2916 -13.5399
13 O2x O 15.9407 -13.5285 #+
14 O2a O 18.5252 -17.2809
15 C8x C 15.9294 -16.2466
16 C8x C 19.4668 -14.2235
17 C8x C 18.2916 -12.1781
18 C8y C 14.7597 -14.2067
19 C1y C 19.8642 -18.5673
20 C8y C 14.7540 -15.5630
21 C8y C 20.6478 -13.5454
22 C8y C 19.4725 -11.5001
23 C8x C 13.5843 -13.5230
24 O2x O 19.8642 -19.9177
25 C1y C 21.0397 -17.8891
26 C8y C 13.5843 -16.2410
27 C8y C 20.6535 -12.1836
28 C8y C 12.4089 -14.2067
29 C1y C 21.0397 -20.5958
30 C1y C 22.2037 -18.5673
31 O2a O 21.1072 -16.4038
32 C8x C 12.4089 -15.5630
33 O1a O 13.5843 -17.5915
34 O1a O 21.8231 -11.5112
35 O1a O 11.2391 -13.5343
36 C1y C 22.2037 -19.9177
37 C1b C 21.0397 -21.9465
38 O1a O 23.3789 -17.8891
39 O1a O 23.3789 -20.5903
40 O1a O 19.8699 -22.6246
41 O1a O 19.4753 -10.0766
42 O1a O 21.8746 -14.2586
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Down
8 5 8 1 #Up
9 6 9 1 #Down
10 10 11 1
11 10 12 1
12 10 13 2
13 11 14 1
14 11 15 2
15 12 16 2
16 12 17 1
17 13 18 1
18 19 14 1 #Up
19 15 20 1
20 16 21 1
21 17 22 2
22 18 23 1
23 19 24 1
24 19 25 1
25 20 26 1
26 21 27 2
27 23 28 2
28 24 29 1
29 25 30 1
30 25 31 1 #Down
31 26 32 2
32 26 33 1
33 27 34 1
34 28 35 1
35 29 36 1
36 29 37 1 #Up
37 30 38 1 #Up
38 36 39 1 #Down
39 37 40 1
40 18 20 2
41 22 27 1
42 28 32 1
43 30 36 1
44 1 31 1 #Up
45 22 41 1
46 21 42 1
|