| Entry |
|
|---|
| Name |
Ternatin C5;
Delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside-3',5'-di-O-beta-D-glucoside
|
|---|
| Formula |
C36H43O25
|
|---|
| Exact mass |
875.2093
|
|---|
| Mol weight |
875.7116
|
|---|
| Structure |
|
|---|
| Reaction |
R07914 R07915 R10063
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Enzyme |
2.4.1.249
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16303 Ternatin C5
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16303 Ternatin C5
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16303 Ternatin C5
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 61
1 C8y C 34.1108 -28.9383
2 C8x C 34.1108 -30.4062
3 C8y C 35.2991 -31.1051
4 C8y C 36.5573 -30.4062
5 C8y C 36.5573 -28.9383
6 C8x C 35.2991 -28.2393
7 C8x C 37.7455 -31.1051
8 C8y C 38.9338 -30.4062
9 C8y C 38.9338 -28.9383
10 O2x O 37.7455 -28.2393 #+
11 C8y C 40.1221 -28.2393
12 C8x C 41.3104 -28.9383
13 C8y C 42.5686 -28.2393
14 C8y C 42.5686 -26.8413
15 C8y C 41.3803 -26.1423
16 C8x C 40.1221 -26.8413
17 O2a O 41.3803 -24.7443
18 O1a O 43.7569 -26.1423
19 O2a O 43.7569 -28.9383
20 O1a O 35.2991 -32.5031
21 O1a O 32.9225 -28.2393
22 O2a O 40.1221 -31.1051
23 C1y C 40.1920 -24.0453
24 O2x O 40.1920 -22.6474
25 C1y C 39.0037 -21.9484
26 C1y C 37.7455 -22.6474
27 C1y C 37.7455 -24.0453
28 C1y C 39.0037 -24.7443
29 C1b C 39.0037 -20.5504
30 O1a O 40.1920 -19.9213
31 O1a O 36.5573 -21.9484
32 O1a O 36.5573 -24.7443
33 O1a O 39.0037 -26.1423
34 C1y C 44.9817 -28.2445
35 C1y C 46.1936 -28.9578
36 C1y C 47.4118 -28.2679
37 C1y C 47.4236 -26.8680
38 C1y C 46.2117 -26.1547
39 O2x O 44.9934 -26.8445
40 C1b C 46.2230 -24.7802
41 O1a O 48.6072 -28.9717
42 O1a O 48.6112 -26.1953
43 O1a O 46.1816 -30.3799
44 O1a O 47.4237 -24.0999
45 C1y C 41.3346 -31.8051
46 C1y C 41.3339 -33.1796
47 C1y C 42.5461 -33.8801
48 C1y C 43.7588 -33.1807
49 C1y C 43.7594 -31.8062
50 O2x O 42.5473 -31.1057
51 C1b C 44.9763 -31.1045
52 O7a O 46.2023 -31.8138
53 O1a O 44.9640 -33.8773
54 O1a O 42.5454 -35.2799
55 O1a O 40.0958 -33.8941
56 C7a C 47.4281 -31.1078
57 C1b C 48.6509 -31.8160
58 O6a O 47.4291 -29.6803
59 C6a C 49.8488 -31.1269
60 O6a O 51.0634 -31.8307
61 O6a O 49.8508 -29.7500
BOND 66
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
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 15 17 1
20 14 18 1
21 13 19 1
22 3 20 1
23 1 21 1
24 8 22 1
25 23 17 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 25 29 1 #Up
33 29 30 1
34 26 31 1 #Down
35 27 32 1 #Up
36 28 33 1 #Down
37 34 19 1 #Down
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 38 39 1
43 34 39 1
44 38 40 1 #Down
45 36 41 1 #Down
46 37 42 1 #Up
47 35 43 1 #Up
48 40 44 1
49 45 22 1 #Down
50 45 46 1
51 46 47 1
52 47 48 1
53 48 49 1
54 49 50 1
55 45 50 1
56 49 51 1 #Down
57 51 52 1
58 48 53 1 #Up
59 47 54 1 #Down
60 46 55 1 #Up
61 52 56 1
62 56 57 1
63 56 58 2
64 57 59 1
65 59 60 1
66 59 61 2
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|---|