| Entry |
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| Name |
Pelargonidin 3-(6-p-coumaroyl)glucoside
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| Formula |
C30H27O12
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| Exact mass |
579.1503
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| Mol weight |
579.5282
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| Structure |
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| Reaction |
R07927
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.3.1.215
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16368 Pelargonidin 3-(6-p-coumaroyl)glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16368 Pelargonidin 3-(6-p-coumaroyl)glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C16368 Pelargonidin 3-(6-p-coumaroyl)glucoside
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| Other DBs |
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| KCF data |
ATOM 42
1 C8y C 9.9400 -16.5200
2 C8y C 9.9400 -15.1200
3 C8x C 8.7500 -14.4200
4 C8y C 7.4900 -15.1200
5 C8x C 7.4900 -16.5200
6 C8y C 8.7500 -17.2200
7 C8x C 11.0600 -17.2200
8 C8y C 12.3200 -16.5200
9 C8y C 12.3200 -15.1200
10 O2x O 11.0600 -14.4200 #+
11 O1a O 8.7500 -18.6200
12 O1a O 6.3000 -14.4200
13 C8y C 13.5100 -14.4200
14 C8x C 14.7000 -15.1200
15 C8x C 16.0300 -14.4200
16 C8y C 16.0300 -13.0200
17 C8x C 14.7700 -12.3200
18 C8x C 13.5100 -13.0200
19 O1a O 17.2200 -12.3200
20 O2a O 13.5100 -17.2200
21 C1y C 14.7000 -17.9200
22 C1y C 14.7000 -19.3900
23 C1y C 15.8900 -20.0900
24 C1y C 17.1500 -19.3900
25 C1y C 17.1500 -17.9200
26 O2x O 15.8900 -17.2200
27 C1b C 18.3400 -17.2200
28 O1a O 15.8900 -21.4900
29 O1a O 13.4400 -20.0900
30 O1a O 18.3400 -20.0900
31 O7a O 19.5300 -17.9200
32 C7a C 20.7200 -17.2900
33 C2b C 21.9100 -17.9900
34 C2b C 23.1700 -17.2900
35 C8y C 24.3600 -17.9900
36 O6a O 20.7200 -15.8900
37 C8x C 24.3600 -19.3900
38 C8x C 25.5500 -20.0900
39 C8y C 26.7400 -19.3900
40 C8x C 26.7400 -17.9900
41 C8x C 25.5500 -17.2900
42 O1a O 28.0000 -20.0900
BOND 46
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 21 20 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 22 29 1 #Up
33 24 30 1 #Up
34 27 31 1
35 31 32 1
36 32 33 1
37 33 34 2
38 34 35 1
39 32 36 2
40 35 37 2
41 37 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 35 41 1
46 39 42 1
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