| Entry |
|
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| Name |
Cyanidin 3-O-rutinoside;
Cyanidin 3-O-rhamnosylglucoside;
Keracyanin
|
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| Formula |
C27H31O15
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| Exact mass |
595.1663
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| Mol weight |
595.526
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| Structure |
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| Comment |
Cyanidin 3-rutinoside chloride [CPD:C04491]
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| Reaction |
R06818 R06819 R07900
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.4.1.116 2.4.1.-
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C08620 Cyanidin 3-O-rutinoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C08620 Cyanidin 3-O-rutinoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C08620 Cyanidin 3-O-rutinoside
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| Other DBs |
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| KCF data |
ATOM 42
1 C8y C 28.6685 -14.1504
2 C8y C 28.7326 -15.5428
3 C8y C 29.8796 -13.4658
4 O2x O 27.4749 -13.4424 #+
5 C8x C 27.4632 -16.2273
6 O2a O 30.0258 -16.3209
7 C8x C 31.0672 -14.1678
8 C8x C 29.8796 -12.0850
9 C8y C 26.2638 -14.1387
10 C8y C 26.2580 -15.5369
11 C1y C 31.3655 -17.2218
12 C8y C 32.2666 -13.4834
13 C8x C 31.0847 -11.4006
14 C8x C 25.0587 -13.4366
15 C8y C 25.0587 -16.2215
16 O2x O 31.3889 -18.6085
17 C1y C 32.5942 -16.5725
18 C8y C 32.2783 -12.1027
19 O1a O 33.4660 -14.1855
20 C8y C 23.8535 -14.1387
21 C8x C 23.8535 -15.5369
22 O1a O 25.0587 -17.6197
23 C1y C 32.4948 -19.3455
24 C1y C 33.7702 -17.3096
25 O1a O 32.6468 -15.1918
26 O1a O 33.4835 -11.4123
27 O1a O 22.6482 -13.4366
28 C1b C 32.4420 -20.7263
29 C1y C 33.7176 -18.6962
30 O1a O 34.9930 -16.6602
31 O2a O 31.2837 -21.3698
32 O1a O 34.8876 -19.4392
33 C1y C 29.9670 -20.5157
34 C1y C 28.6743 -21.1593
35 O2x O 29.9498 -19.1292
36 C1y C 27.5800 -20.4221
37 O1a O 28.6274 -22.5400
38 C1y C 28.7739 -18.3920
39 C1y C 27.5568 -19.0473
40 O1a O 26.2815 -21.0773
41 C1a C 28.8265 -17.0053
42 O1a O 26.3751 -18.6601
BOND 46
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 11 6 1 #Up
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 1
17 12 18 2
18 12 19 1
19 14 20 2
20 15 21 2
21 15 22 1
22 16 23 1
23 17 24 1
24 17 25 1 #Down
25 18 26 1
26 20 27 1
27 23 28 1 #Up
28 23 29 1
29 24 30 1 #Up
30 28 31 1
31 29 32 1 #Down
32 33 31 1 #Up
33 33 34 1
34 33 35 1
35 34 36 1
36 34 37 1 #Down
37 35 38 1
38 36 39 1
39 36 40 1 #Down
40 38 41 1 #Down
41 39 42 1 #Up
42 9 10 2
43 13 18 1
44 20 21 1
45 24 29 1
46 38 39 1
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