| Entry |
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| Name |
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
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| Formula |
C24H23O13
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| Exact mass |
519.1139
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| Mol weight |
519.4316
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| Structure |
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| Reaction |
R06801 R07884
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
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| Enzyme |
2.3.1.171 2.3.1.-
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12642 Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12642 Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C12642 Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
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| Other DBs |
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| KCF data |
ATOM 37
1 C8y C 28.8912 -14.8160
2 C8y C 28.8852 -16.2172
3 C8y C 30.1113 -14.1155
4 O2x O 27.6827 -14.1038 #+
5 O2a O 29.9886 -16.8534
6 C8x C 27.6710 -16.9118
7 C8x C 31.3255 -14.8218
8 C8x C 30.1113 -12.7086
9 C8y C 26.4625 -14.8044
10 C1y C 31.3022 -17.6241
11 C8y C 26.4566 -16.2055
12 C8x C 32.5457 -14.1212
13 C8x C 31.3314 -12.0080
14 C8x C 25.2482 -14.0980
15 O2x O 31.3022 -19.0193
16 C1y C 32.5165 -16.9235
17 C8y C 25.2482 -16.9060
18 C8y C 32.5514 -12.7144
19 C8y C 24.0339 -14.8044
20 C1y C 32.5165 -19.7198
21 C1y C 33.7191 -17.6241
22 O1a O 32.5165 -15.5283
23 C8x C 24.0339 -16.2055
24 O1a O 25.2482 -18.3013
25 O1a O 33.7599 -12.0197
26 O1a O 22.8255 -14.1097
27 C1y C 33.7191 -19.0193
28 C1b C 32.5165 -21.1152
29 O1a O 34.9333 -16.9235
30 O1a O 34.9333 -19.7141
31 O7a O 31.3081 -21.8157
32 C7a C 30.0972 -21.1196
33 C1b C 28.8888 -21.8200
34 C6a C 27.6780 -21.1238
35 O6a O 30.0947 -19.7229
36 O6a O 27.6756 -19.7271
37 O6a O 26.4697 -21.8244
BOND 40
1 3 7 2
2 3 8 1
3 4 9 1
4 10 5 1 #Up
5 6 11 1
6 7 12 1
7 8 13 2
8 9 14 1
9 10 15 1
10 10 16 1
11 11 17 1
12 12 18 2
13 14 19 2
14 15 20 1
15 16 21 1
16 16 22 1 #Down
17 17 23 2
18 17 24 1
19 18 25 1
20 19 26 1
21 20 27 1
22 20 28 1 #Up
23 21 29 1 #Up
24 27 30 1 #Down
25 28 31 1
26 9 11 2
27 13 18 1
28 19 23 1
29 21 27 1
30 31 32 1
31 1 2 1
32 32 33 1
33 1 3 1
34 33 34 1
35 1 4 2
36 32 35 2
37 2 5 1
38 34 36 1
39 2 6 2
40 34 37 2
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