| Entry |
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| Name |
Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside;
Pelargonidin 3-rutinoside-5-glucopyranoside
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| Formula |
C33H41O19
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| Exact mass |
741.2242
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| Mol weight |
741.6672
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| Structure |
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| Reaction |
R06803
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.4.1.116
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12645 Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12645 Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C12645 Pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside
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| Other DBs |
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| KCF data |
ATOM 52
1 C8y C 30.5548 -14.1359
2 C8y C 30.5489 -15.5284
3 C8y C 31.7659 -13.4514
4 O2x O 29.3612 -13.4279 #+
5 C8x C 29.3495 -16.2128
6 O2a O 31.9121 -16.3065
7 C8x C 32.9535 -14.1534
8 C8x C 31.7659 -12.0706
9 C8y C 28.1502 -14.1242
10 C8y C 28.1444 -15.5224
11 C1y C 33.2518 -17.2074
12 C8x C 34.1529 -13.4690
13 C8x C 32.9710 -11.3862
14 C8x C 26.9451 -13.4222
15 C8y C 26.9451 -16.2070
16 O2x O 33.2751 -18.5940
17 C1y C 34.4805 -16.5581
18 C8y C 34.1646 -12.0883
19 C8y C 25.7399 -14.1242
20 C8x C 25.7399 -15.5224
21 O2a O 26.9451 -17.6052
22 C1y C 34.3811 -19.3311
23 C1y C 35.6564 -17.2951
24 O1a O 34.5331 -15.1773
25 O1a O 35.3697 -11.3979
26 O1a O 24.5346 -13.4222
27 C1b C 34.3283 -20.7118
28 C1y C 35.6039 -18.6818
29 O1a O 36.8792 -16.6458
30 O2a O 33.1700 -21.3553
31 O1a O 36.7739 -19.4247
32 C1y C 31.8534 -20.5012
33 C1y C 30.5606 -21.1448
34 O2x O 31.8361 -19.1147
35 C1y C 29.4664 -20.4076
36 O1a O 30.5138 -22.5255
37 C1y C 30.6602 -18.3775
38 C1y C 29.4432 -19.0328
39 O1a O 28.1678 -21.2728
40 C1a C 30.7128 -16.9909
41 O1a O 28.2615 -18.4356
42 C1y C 25.7328 -18.3051
43 O2x O 24.5272 -17.6042
44 C1y C 23.3149 -18.3041
45 C1y C 23.3149 -19.7038
46 C1y C 24.5272 -20.4037
47 C1y C 25.7393 -19.7038
48 O1a O 26.9530 -20.3308
49 O1a O 24.5272 -21.8034
50 O1a O 22.1027 -20.4037
51 C1b C 22.1027 -17.6042
52 O1a O 20.8904 -18.3041
BOND 57
1 7 12 1
2 8 13 2
3 9 14 1
4 10 15 1
5 11 16 1
6 11 17 1
7 12 18 2
8 14 19 2
9 15 20 2
10 15 21 1
11 16 22 1
12 17 23 1
13 17 24 1 #Down
14 18 25 1
15 19 26 1
16 22 27 1 #Up
17 22 28 1
18 23 29 1 #Up
19 27 30 1
20 28 31 1 #Down
21 32 30 1 #Up
22 32 33 1
23 32 34 1
24 33 35 1
25 33 36 1 #Down
26 34 37 1
27 35 38 1
28 35 39 1 #Down
29 37 40 1 #Down
30 38 41 1 #Up
31 9 10 2
32 13 18 1
33 19 20 1
34 23 28 1
35 37 38 1
36 42 21 1 #Up
37 1 2 1
38 1 3 1
39 1 4 2
40 2 5 2
41 2 6 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 42 1
48 3 7 2
49 47 48 1 #Down
50 3 8 1
51 46 49 1 #Up
52 4 9 1
53 45 50 1 #Down
54 5 10 1
55 44 51 1 #Up
56 11 6 1 #Up
57 51 52 1
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