Entry |
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Name |
Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
|
Formula |
C27H25O16
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Exact mass |
605.1143
|
Mol weight |
605.4778
|
Structure |
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Reaction |
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Pathway |
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Enzyme |
2.3.1.-
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Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16288 Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16288 Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C16288 Pelargonidin 3-O-3'',6''-O-dimalonylglucoside
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Other DBs |
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LinkDB |
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KCF data |
ATOM 43
1 C8y C 25.2700 -20.2300
2 C8x C 25.2700 -21.6300
3 C8y C 26.5300 -22.3300
4 C8y C 27.7200 -21.6300
5 C8y C 27.7200 -20.2300
6 C8x C 26.5300 -19.5300
7 C8x C 28.9100 -22.3300
8 C8y C 30.1700 -21.6300
9 C8y C 30.1700 -20.2300
10 O2x O 28.9100 -19.5300 #+
11 C8y C 31.3600 -19.5300
12 C8x C 32.5500 -20.1600
13 C8x C 33.7400 -19.4600
14 C8y C 33.7400 -18.0600
15 C8x C 32.5500 -17.4300
16 C8x C 31.3600 -18.1300
17 O1a O 26.5300 -23.7300
18 O1a O 24.0800 -19.5300
19 O2a O 31.3600 -22.3300
20 O1a O 35.0000 -17.3600
21 C1y C 32.5724 -23.0300
22 C1y C 32.5724 -24.4298
23 C1y C 33.7848 -25.1298
24 C1y C 34.9973 -24.4299
25 C1y C 34.9973 -23.0300
26 O2x O 33.7848 -22.3300
27 C1b C 36.2118 -22.3289
28 O7a O 33.7848 -26.5298
29 O1a O 31.3432 -25.1397
30 O1a O 36.2118 -25.1311
31 O7a O 37.4082 -23.0198
32 C7a C 38.5924 -22.3300
33 C1b C 39.8049 -23.0300
34 C6a C 41.0173 -22.3300
35 O6a O 42.2297 -23.0300
36 O6a O 38.5897 -20.9301
37 O6a O 41.0173 -20.9300
38 C7a C 35.0161 -27.2408
39 O6a O 36.2211 -26.5452
40 C1b C 35.0159 -28.6299
41 C6a C 36.2163 -29.3232
42 O6a O 37.4061 -28.6364
43 O6a O 36.2163 -30.7298
BOND 46
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
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 3 17 1
20 1 18 1
21 8 19 1
22 14 20 1
23 21 19 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 1
38 34 35 1
39 32 36 2
40 34 37 2
41 28 38 1
42 38 39 2
43 38 40 1
44 40 41 1
45 41 42 2
46 41 43 1
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