| Entry |
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| Name |
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside;
Shisonin
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| Formula |
C36H37O18
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| Exact mass |
757.198
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| Mol weight |
757.6682
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| Structure |
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| Reaction |
R06545 R06547 R07910
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
2.3.1.172 2.3.1.215 2.4.1.298
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12096 Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12096 Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C12096 Cyanidin 3-O-(6-O-p-coumaroyl)glucoside-5-O-glucoside
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| Other DBs |
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| KCF data |
ATOM 54
1 C1b C 31.1775 -34.7472
2 O7a O 29.9651 -35.4461
3 C7a C 29.9518 -36.8422
4 C2b C 28.7316 -37.5343
5 O6a O 31.1586 -37.5573
6 C2b C 28.7203 -38.9321
7 C8y C 27.5011 -39.6190
8 C8x C 26.3071 -38.9102
9 C8x C 25.0880 -39.5972
10 C8y C 25.0768 -40.9974
11 C8x C 26.2847 -41.7107
12 C8x C 27.4969 -41.0168
13 O1a O 23.8575 -41.6913
14 C1y C 22.8542 -32.6511
15 O2x O 21.6445 -31.9536
16 C1y C 20.4307 -32.6502
17 C1y C 20.4307 -34.0504
18 C1y C 21.6445 -34.7542
19 C1y C 22.7881 -34.0504
20 O1a O 24.0727 -34.7525
21 O1a O 21.6445 -36.1545
22 O1a O 19.2171 -34.7542
23 C1b C 19.2171 -31.9536
24 C8y C 27.5400 -28.4285
25 C8y C 27.5341 -29.8331
26 C8y C 28.7642 -27.7297
27 O2x O 26.3345 -27.7180 #+
28 O2a O 28.6418 -30.4749
29 C8x C 26.3228 -30.5331
30 C8x C 29.9825 -28.4343
31 C8x C 28.7642 -26.3192
32 C8y C 25.1104 -28.4169
33 C1y C 29.9592 -31.2436
34 C8y C 25.1045 -29.8214
35 C8y C 31.2066 -27.7354
36 C8x C 29.9884 -25.6133
37 C8x C 23.8920 -27.7123
38 O2x O 29.9592 -32.6425
39 C1y C 31.1775 -30.5448
40 C8y C 23.8920 -30.5274
41 C8y C 31.2123 -26.3249
42 O1a O 32.4191 -28.4343
43 C8y C 22.6736 -28.4169
44 C1y C 31.1775 -33.3482
45 C1y C 32.3842 -31.2436
46 O1a O 31.1775 -29.2859
47 C8x C 22.6736 -29.8214
48 O1a O 32.4249 -25.6249
49 O1a O 21.4612 -27.7239
50 C1y C 32.3842 -32.6425
51 O1a O 33.6025 -30.5448
52 O1a O 33.6025 -33.3425
53 O2a O 23.8935 -31.9277
54 O1a O 18.0105 -32.6501
BOND 59
1 10 13 1
2 6 7 1
3 1 2 1
4 2 3 1
5 3 4 1
6 3 5 2
7 4 6 2
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 7 1
14 30 35 1
15 31 36 2
16 32 37 1
17 33 38 1
18 33 39 1
19 34 40 1
20 35 41 2
21 35 42 1
22 37 43 2
23 38 44 1
24 39 45 1
25 39 46 1 #Down
26 40 47 2
27 41 48 1
28 43 49 1
29 44 50 1
30 44 1 1 #Up
31 45 51 1 #Up
32 50 52 1 #Down
33 32 34 2
34 36 41 1
35 43 47 1
36 45 50 1
37 24 25 1
38 24 26 1
39 24 27 2
40 25 28 1
41 25 29 2
42 26 30 2
43 26 31 1
44 27 32 1
45 33 28 1 #Up
46 29 34 1
47 19 20 1 #Down
48 40 53 1
49 18 21 1 #Up
50 17 22 1 #Down
51 16 23 1 #Up
52 14 15 1
53 15 16 1
54 16 17 1
55 17 18 1
56 18 19 1
57 19 14 1
58 14 53 1 #Up
59 23 54 1
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