| Entry |
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| Name |
Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
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| Formula |
C36H37O17
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| Exact mass |
741.2031
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| Mol weight |
741.6688
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| Structure |
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| Reaction |
R07880
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.3.1.153
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16349 Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16349 Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C16349 Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
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| Other DBs |
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| KCF data |
ATOM 53
1 C8y C 23.0300 -17.6400
2 C8x C 23.0300 -19.0400
3 C8y C 24.2424 -19.7400
4 C8y C 25.4549 -19.0400
5 C8y C 25.4549 -17.6400
6 C8x C 24.2424 -16.9400
7 C8x C 26.6673 -19.7400
8 C8y C 27.8797 -19.0400
9 C8y C 27.8797 -17.6400
10 O2x O 26.6673 -16.9400 #+
11 C8y C 29.0773 -16.9485
12 C8x C 30.2656 -17.6345
13 C8x C 31.4780 -16.9345
14 C8y C 31.4780 -15.5345
15 C8x C 30.2897 -14.8485
16 C8x C 29.0773 -15.5485
17 O2a O 29.0773 -19.7315
18 O1a O 21.8176 -16.9400
19 O2a O 24.2424 -21.1398
20 O1a O 32.7044 -14.8263
21 C1y C 30.2897 -20.4315
22 C1y C 30.2896 -21.8399
23 C1y C 31.5020 -22.5400
24 C1y C 32.7145 -21.8401
25 C1y C 32.7146 -20.4318
26 O2x O 31.5022 -19.7317
27 C1b C 33.9050 -19.7445
28 O1a O 31.5018 -23.9400
29 O1a O 33.9083 -22.5297
30 O1a O 29.0924 -22.5310
31 O1a O 35.0966 -20.4327
32 C1y C 23.0132 -21.8496
33 O2x O 21.8093 -21.1546
34 C1y C 20.5968 -21.8546
35 C1y C 20.5968 -23.2546
36 C1y C 21.8008 -23.9496
37 C1y C 23.0132 -23.2496
38 O1a O 21.8005 -25.3397
39 C1b C 19.3654 -21.1437
40 O7a O 18.1732 -21.8323
41 O1a O 19.3783 -23.9582
42 O1a O 24.2339 -23.9546
43 C7a C 16.9876 -21.1400
44 C2b C 15.7751 -21.8400
45 C2b C 14.5627 -21.1400
46 C8y C 13.3503 -21.8400
47 O6a O 16.9910 -19.7401
48 C8x C 12.1527 -21.1485
49 C8x C 10.9402 -21.8484
50 C8y C 10.9401 -23.2484
51 C8x C 12.1376 -23.9399
52 C8x C 13.3501 -23.2400
53 O1a O 9.7163 -23.9550
BOND 58
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 8 17 1
20 1 18 1
21 3 19 1
22 14 20 1
23 21 17 1 #Down
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 26 1
30 25 27 1 #Down
31 23 28 1 #Down
32 24 29 1 #Up
33 22 30 1 #Up
34 27 31 1
35 32 19 1 #Up
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 32 37 1
42 36 38 1 #Up
43 34 39 1 #Up
44 39 40 1
45 35 41 1 #Down
46 37 42 1 #Down
47 40 43 1
48 43 44 1
49 44 45 2
50 45 46 1
51 43 47 2
52 46 48 2
53 48 49 1
54 49 50 2
55 50 51 1
56 51 52 2
57 46 52 1
58 50 53 1
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