| | COMPOUND: C08640 | |
Entry |
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Name |
Delphinidin 3,3',5'-tri-O-glucoside
|
Formula |
C33H41O22
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Exact mass |
789.2089
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Mol weight |
789.6654
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Structure |
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Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C08640 Delphinidin 3,3',5'-tri-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C08640 Delphinidin 3,3',5'-tri-O-glucoside
|
Other DBs |
|
KCF data |
ATOM 55
1 C8y C 26.8912 -17.6574
2 C8y C 26.8853 -19.0462
3 C8y C 28.1048 -16.9631
4 O2x O 25.6949 -16.9572 #+
5 C8x C 25.6833 -19.7348
6 O2a O 28.0641 -19.9391
7 C8x C 29.3011 -17.6691
8 C8x C 28.1048 -15.5800
9 C8y C 24.4870 -17.6457
10 C8y C 24.4811 -19.0346
11 C1y C 28.1108 -21.3279
12 C8y C 30.5033 -16.9805
13 C8y C 29.3128 -14.8915
14 C8x C 23.2908 -16.9514
15 C8y C 23.2908 -19.7289
16 O2x O 26.9262 -22.0632
17 C1y C 29.4061 -21.9814
18 C8y C 30.5090 -15.5917
19 O2a O 31.7053 -17.6808
20 O2a O 29.3128 -13.5086
21 C8y C 22.0828 -17.6457
22 C8x C 22.0828 -19.0346
23 O1a O 23.2908 -21.1177
24 C1y C 26.9727 -23.4518
25 C1y C 29.3828 -23.3703
26 O1a O 30.5149 -21.2519
27 O1a O 31.7169 -14.9031
28 C1y C 33.1932 -18.5035
29 C1y C 27.9356 -12.5924
30 O1a O 20.8807 -16.9514
31 C1y C 28.1923 -24.1055
32 C1b C 25.7941 -24.1871
33 O1a O 30.6082 -24.0295
34 O2x O 33.1525 -19.8864
35 C1y C 34.3837 -17.7799
36 O2x O 27.9356 -11.2036
37 C1y C 26.7394 -13.2926
38 O1a O 28.2390 -25.4942
39 O1a O 24.5687 -23.5278
40 C1y C 34.4362 -20.5576
41 C1y C 35.5974 -18.4568
42 O1a O 34.3604 -16.3911
43 C1y C 26.7394 -10.5209
44 C1y C 25.5257 -12.5924
45 O1a O 26.7394 -14.6815
46 C1y C 35.6208 -19.8457
47 C1b C 34.4595 -21.9522
48 O1a O 36.7877 -17.7449
49 C1y C 25.5257 -11.2036
50 C1b C 26.7394 -9.1321
51 O1a O 24.3235 -13.2926
52 O1a O 36.8344 -20.5226
53 O1a O 33.2691 -22.6641
54 O1a O 24.3235 -10.5092
55 O1a O 27.9415 -8.4318
BOND 60
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 11 6 1 #Up
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 1
17 12 18 2
18 12 19 1
19 13 20 1
20 14 21 2
21 15 22 2
22 15 23 1
23 16 24 1
24 17 25 1
25 17 26 1 #Down
26 18 27 1
27 28 19 1 #Up
28 29 20 1 #Up
29 21 30 1
30 24 31 1
31 24 32 1 #Up
32 25 33 1 #Up
33 28 34 1
34 28 35 1
35 29 36 1
36 29 37 1
37 31 38 1 #Down
38 32 39 1
39 34 40 1
40 35 41 1
41 35 42 1 #Down
42 36 43 1
43 37 44 1
44 37 45 1 #Down
45 40 46 1
46 40 47 1 #Up
47 41 48 1 #Up
48 43 49 1
49 43 50 1 #Up
50 44 51 1 #Up
51 46 52 1 #Down
52 47 53 1
53 49 54 1 #Down
54 50 55 1
55 9 10 2
56 13 18 1
57 21 22 1
58 25 31 1
59 41 46 1
60 44 49 1
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