| Entry |
|
|---|
| Name |
Delphinidin 3-O-rutinoside;
Tulipanin
|
|---|
| Formula |
C27H31O16
|
|---|
| Exact mass |
611.1612
|
|---|
| Mol weight |
611.5254
|
|---|
| Structure |
|
|---|
| Reaction |
R07903 R07904
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Enzyme |
2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16315 Delphinidin 3-O-rutinoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16315 Tulipanin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16315 Tulipanin
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 43
1 C8y C 35.9800 -28.7000
2 C8y C 35.9800 -27.3000
3 C8x C 34.8600 -26.6000
4 C8y C 33.6000 -27.3000
5 C8x C 33.6000 -28.7000
6 C8y C 34.8600 -29.4000
7 C8x C 37.1000 -29.4000
8 C8y C 38.3600 -28.7000
9 C8y C 38.3600 -27.3000
10 O2x O 37.1000 -26.6000 #+
11 O1a O 34.8600 -30.8000
12 O1a O 32.4100 -26.6000
13 C8y C 39.5500 -26.6000
14 C8x C 40.7400 -27.3000
15 C8y C 42.0000 -26.6000
16 C8y C 42.0000 -25.2000
17 C8y C 40.8100 -24.5000
18 C8x C 39.5500 -25.2000
19 O1a O 43.1900 -24.5000
20 O2a O 39.5500 -29.4000
21 O1a O 43.1900 -27.3700
22 O1a O 40.8100 -23.1000
23 C1y C 40.8100 -30.1000
24 C1y C 40.8100 -31.4300
25 C1y C 42.0000 -32.1300
26 C1y C 43.1900 -31.4300
27 C1y C 43.1900 -30.1000
28 O2x O 42.0000 -29.4000
29 O1a O 44.4500 -32.1300
30 O1a O 39.5500 -32.2000
31 C1b C 44.4500 -29.4000
32 O1a O 42.0000 -33.5300
33 O2a O 45.6400 -30.0300
34 C1y C 46.8300 -29.4000
35 C1y C 48.0200 -30.0300
36 C1y C 49.2100 -29.3300
37 C1y C 49.2100 -27.9300
38 C1y C 48.0200 -27.3000
39 O2x O 46.8300 -28.0000
40 C1a C 48.0200 -25.9000
41 O1a O 50.4000 -27.2300
42 O1a O 50.4000 -30.1000
43 O1a O 48.0200 -31.4300
BOND 47
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 6 11 1
13 4 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 8 20 1
23 15 21 1
24 17 22 1
25 23 20 1 #Down
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 26 29 1 #Up
33 24 30 1 #Up
34 27 31 1 #Down
35 25 32 1 #Down
36 31 33 1
37 34 33 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 #Up
45 37 41 1 #Down
46 36 42 1 #Up
47 35 43 1 #Up
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