| Entry |
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| Name |
Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside;
Bisdemalonylsalvianin
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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 |
R06798 R06799 R07875 R07876
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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.-
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12640 Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12640 Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C12640 Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside
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| Other DBs |
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| KCF data |
ATOM 54
1 C1b C 34.2310 -17.2992
2 O7a O 33.0185 -17.9981
3 C7a C 33.0052 -19.3943
4 C2b C 31.7849 -20.0864
5 O6a O 34.2121 -20.1094
6 C2b C 31.7736 -21.4844
7 C8y C 30.5543 -22.1713
8 C8x C 29.3603 -21.4624
9 C8x C 28.1410 -22.1495
10 C8y C 28.1299 -23.5498
11 C8y C 29.3378 -24.2632
12 C8x C 30.5501 -23.5692
13 O1a O 26.9104 -24.2438
14 C1y C 25.9070 -15.2029
15 O2x O 24.6972 -14.5053
16 C1y C 23.4834 -15.2020
17 C1y C 23.4834 -16.6023
18 C1y C 24.6972 -17.3061
19 C1y C 25.9109 -16.6023
20 O1a O 27.1256 -17.3044
21 O1a O 24.6972 -18.7066
22 O1a O 22.2697 -17.3061
23 C1b C 22.2697 -14.5053
24 C8y C 30.5932 -10.9800
25 C8y C 30.5873 -12.3847
26 C8y C 31.8175 -10.2811
27 O2x O 29.3876 -10.2694 #+
28 O2a O 31.6951 -13.0265
29 C8x C 29.3760 -13.0848
30 C8x C 33.0359 -10.9857
31 C8x C 31.8175 -8.8705
32 C8y C 28.1635 -10.9683
33 C1y C 33.0126 -13.7953
34 C8y C 28.1576 -12.3730
35 C8x C 34.3301 -10.2868
36 C8x C 33.0418 -8.1645
37 C8x C 26.9449 -10.2637
38 O2x O 33.0126 -15.1942
39 C1y C 34.2310 -13.0964
40 C8y C 26.9449 -13.0790
41 C8y C 34.2658 -8.8762
42 C8y C 25.7265 -10.9683
43 C1y C 34.2310 -15.9001
44 C1y C 35.4378 -13.7953
45 O1a O 34.2310 -11.6975
46 C8x C 25.7265 -12.3730
47 O1a O 35.4785 -8.1762
48 O1a O 24.5140 -10.2754
49 C1y C 35.4378 -15.1942
50 O1a O 36.6562 -13.0964
51 O1a O 36.6562 -15.8943
52 O2a O 26.9464 -14.4795
53 O1a O 21.0630 -15.2018
54 O1a O 29.3283 -25.6566
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 37 42 2
22 38 43 1
23 39 44 1
24 39 45 1 #Down
25 40 46 2
26 41 47 1
27 42 48 1
28 43 49 1
29 43 1 1 #Up
30 44 50 1 #Up
31 49 51 1 #Down
32 32 34 2
33 36 41 1
34 42 46 1
35 44 49 1
36 24 25 1
37 24 26 1
38 24 27 2
39 25 28 1
40 25 29 2
41 26 30 2
42 26 31 1
43 27 32 1
44 33 28 1 #Up
45 29 34 1
46 19 20 1 #Down
47 40 52 1
48 18 21 1 #Up
49 17 22 1 #Down
50 16 23 1 #Up
51 14 15 1
52 15 16 1
53 16 17 1
54 17 18 1
55 18 19 1
56 19 14 1
57 14 52 1 #Up
58 23 53 1
59 11 54 1
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