Entry |
|
Name |
Cyanidin 3-O-beta-D-sambubioside
|
Formula |
C26H29O15
|
Exact mass |
581.1506
|
Mol weight |
581.4995
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20490 Cyanidin 3-O-beta-D-sambubioside
Dietary phytochemicals [br08012.html]
Flavonoids
C20490
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 41
1 C1y C 22.5446 -14.1443
2 O2x O 22.5446 -15.4959
3 C1x C 23.7153 -16.1719
4 C1y C 24.8860 -15.4959
5 C1y C 24.8860 -14.1443
6 C1y C 23.7153 -13.4684
7 O1a O 26.0747 -16.1824
8 O1a O 26.0747 -13.4578
9 O1a O 23.7153 -12.1168
10 C8y C 17.1169 -13.5231
11 C8y C 17.1113 -14.8799
12 C8y C 18.2986 -12.8448
13 O2x O 15.9468 -12.8334 #+
14 O2a O 18.1121 -16.3071
15 C8x C 15.9355 -15.5525
16 C8x C 19.4742 -13.5287
17 C8x C 18.2986 -11.4825
18 C8y C 14.7653 -13.5119
19 C1y C 19.4516 -17.5940
20 C8y C 14.7596 -14.8687
21 C8x C 20.6557 -12.8503
22 C8y C 19.4799 -10.8042
23 C8x C 13.5895 -12.8279
24 O2x O 19.4516 -18.9449
25 C1y C 20.6276 -16.9155
26 C8y C 13.5895 -15.5469
27 C8y C 20.6614 -11.4880
28 C8y C 12.4136 -13.5119
29 C1y C 20.6276 -19.6233
30 C1y C 21.7920 -17.5940
31 O2a O 20.6951 -15.4297
32 C8x C 12.4136 -14.8687
33 O1a O 13.5895 -16.8979
34 O1a O 21.8314 -10.8153
35 O1a O 11.2434 -12.8392
36 C1y C 21.7920 -18.9449
37 C1b C 20.6276 -20.9745
38 O1a O 22.9677 -16.9155
39 O1a O 22.9677 -19.6178
40 O1a O 19.4573 -21.6529
41 O1a O 19.4827 -9.3802
BOND 45
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
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