| Entry |
|
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| Name |
Petunidin 3-O-glucoside;
Petunidin 3-glucoside
|
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| Formula |
C22H23O12
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| Exact mass |
479.119
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| Mol weight |
479.4108
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| Structure |
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| Reaction |
R06549
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12139 Petunidin 3-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12139 Petunidin 3-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C12139 Petunidin 3-O-glucoside
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| Other DBs |
| CAS: | 6988-81-4 71991-88-3 |
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| KCF data |
ATOM 34
1 O2a O 26.9477 -34.3958
2 C1y C 28.2571 -35.1640
3 O2x O 28.2571 -36.5546
4 C1y C 29.4675 -34.4657
5 C1y C 29.4675 -37.2529
6 C1y C 30.6662 -35.1640
7 O1a O 29.4675 -33.2850
8 C1y C 30.6662 -36.5546
9 C1b C 29.4675 -38.6438
10 O1a O 31.8764 -34.4657
11 O1a O 31.8764 -37.2472
12 O1a O 28.2630 -39.3421
13 C8y C 26.9558 -31.5908
14 C8y C 25.7397 -32.2773
15 C8x C 28.1604 -32.2949
16 C8x C 26.9558 -30.1943
17 O2x O 24.5294 -31.5792 #+
18 C8y C 25.7339 -33.6798
19 C8y C 29.3766 -31.6023
20 C8y C 28.1720 -29.4960
21 C8y C 23.3132 -32.2716
22 C8x C 24.5177 -34.3781
23 C8y C 29.3823 -30.2059
24 O2a O 30.5811 -32.3065
25 O1a O 28.1078 -28.0935
26 C8y C 23.3073 -33.6682
27 C8x C 22.1027 -31.5733
28 O1a O 30.5928 -29.5076
29 C1a C 31.7914 -31.6140
30 C8y C 22.1027 -34.3722
31 C8y C 20.8982 -32.2716
32 C8x C 20.8982 -33.6682
33 O1a O 22.1087 -35.7688
34 O1a O 19.6820 -31.5733
BOND 37
1 6 10 1 #Up
2 8 11 1 #Down
3 9 12 1
4 6 8 1
5 2 1 1 #Up
6 2 3 1
7 2 4 1
8 3 5 1
9 4 6 1
10 4 7 1 #Down
11 5 8 1
12 5 9 1 #Up
13 13 14 1
14 13 15 2
15 13 16 1
16 14 17 2
17 14 18 1
18 15 19 1
19 16 20 2
20 17 21 1
21 18 22 2
22 18 1 1
23 19 23 2
24 19 24 1
25 20 25 1
26 21 26 2
27 21 27 1
28 23 28 1
29 24 29 1
30 26 30 1
31 27 31 2
32 30 32 2
33 30 33 1
34 31 34 1
35 20 23 1
36 22 26 1
37 31 32 1
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