Entry |
|
Name |
|
Formula |
C39H39O21
|
Exact mass |
843.1984
|
Mol weight |
843.7144
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16299 Malonylshisonin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16299 Malonylshisonin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C16299 Malonylshisonin
Dietary phytochemicals [br08012.html]
Flavonoids
C16299
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 60
1 C8y C 39.5458 -27.2053
2 C8y C 39.5458 -25.8029
3 C8x C 38.3538 -25.1018
4 C8y C 37.0917 -25.8029
5 C8x C 37.0917 -27.2053
6 C8y C 38.3538 -27.9064
7 C8x C 40.6676 -27.9064
8 C8y C 41.9297 -27.2053
9 C8y C 41.9297 -25.8029
10 O2x O 40.6676 -25.1018 #+
11 O2a O 38.3538 -29.3088
12 O1a O 35.8997 -25.1018
13 C8y C 43.1217 -25.1018
14 C8x C 44.3137 -25.8029
15 C8y C 45.6459 -25.1018
16 C8y C 45.6459 -23.6995
17 C8x C 44.3838 -22.9983
18 C8x C 43.1217 -23.6995
19 O1a O 46.8379 -22.9983
20 O2a O 43.1217 -27.9064
21 O1a O 46.8379 -25.8029
22 C1y C 37.0917 -30.0099
23 O2x O 35.8997 -29.3088
24 C1y C 34.7077 -30.0099
25 C1y C 34.7077 -31.4123
26 C1y C 35.8997 -32.1134
27 C1y C 37.0917 -31.4123
28 C1b C 33.5157 -29.3088
29 O7a O 32.3238 -30.0099
30 O1a O 33.4456 -32.0433
31 O1a O 35.8997 -33.5157
32 O1a O 38.3538 -32.1134
33 C7a C 31.1318 -29.3088
34 C1b C 29.9398 -30.0099
35 O6a O 31.1318 -27.9064
36 C6a C 28.7478 -29.3088
37 O6a O 27.5559 -30.0099
38 O6a O 28.7478 -27.9064
39 C1y C 44.3341 -28.6064
40 C1y C 44.3345 -30.0298
41 C1y C 45.5472 -30.7294
42 C1y C 46.7594 -30.0291
43 C1y C 46.7590 -28.6057
44 O2x O 45.5464 -27.9061
45 C1b C 47.9614 -27.9113
46 O1a O 45.5476 -32.1298
47 O1a O 43.1040 -30.7410
48 O1a O 47.9729 -30.7292
49 O7a O 49.1734 -28.6107
50 C7a C 50.3524 -27.9300
51 C2b C 51.5649 -28.6300
52 C2b C 52.7773 -27.9300
53 C8y C 53.9897 -28.6300
54 O6a O 50.3524 -26.5302
55 C8x C 53.9897 -30.0299
56 C8x C 55.2022 -30.7299
57 C8y C 56.4146 -30.0299
58 C8x C 56.4146 -28.6300
59 C8x C 55.2022 -27.9300
60 O1a O 57.6311 -30.7322
BOND 65
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 15 21 1
24 22 11 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 24 28 1 #Up
32 28 29 1
33 25 30 1 #Down
34 26 31 1 #Up
35 27 32 1 #Down
36 29 33 1
37 33 34 1
38 33 35 2
39 34 36 1
40 36 37 1
41 36 38 2
42 39 20 1 #Down
43 39 40 1
44 40 41 1
45 41 42 1
46 42 43 1
47 43 44 1
48 39 44 1
49 43 45 1 #Down
50 41 46 1 #Down
51 40 47 1 #Up
52 42 48 1 #Up
53 45 49 1
54 49 50 1
55 50 51 1
56 51 52 2
57 52 53 1
58 50 54 2
59 53 55 2
60 55 56 1
61 56 57 2
62 57 58 1
63 58 59 2
64 53 59 1
65 57 60 1
|