| Entry |
|
|---|
| Name |
Pelargonidin 3-O-rutinoside
|
|---|
| Formula |
C27H31O14
|
|---|
| Exact mass |
579.1714
|
|---|
| Mol weight |
579.5266
|
|---|
| Structure |
|
|---|
| Reaction |
R06802 R06803
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Enzyme |
2.4.1.116 2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12644 Pelargonidin 3-O-rutinoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12644 Pelargonidin 3-O-rutinoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C12644 Pelargonidin 3-O-rutinoside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 41
1 C8y C 28.6855 -14.1628
2 C8y C 28.6796 -15.5551
3 C8y C 29.8964 -13.4784
4 O2x O 27.4921 -13.4549 #+
5 C8x C 27.4804 -16.2394
6 O2a O 30.0426 -16.3330
7 C8x C 31.0839 -14.1803
8 C8x C 29.8964 -12.0978
9 C8y C 26.2812 -14.1511
10 C8y C 26.2755 -15.5491
11 C1y C 31.3821 -17.2338
12 C8x C 32.2831 -13.4960
13 C8x C 31.1014 -11.4135
14 C8x C 25.0763 -13.4492
15 C8y C 25.0763 -16.2336
16 O2x O 31.3355 -18.6203
17 C1y C 32.6106 -16.5846
18 C8y C 32.2948 -12.1155
19 C8y C 23.8714 -14.1511
20 C8x C 23.8714 -15.5491
21 O1a O 25.0763 -17.4916
22 C1y C 32.5112 -19.3572
23 C1y C 33.7864 -17.3215
24 O1a O 32.6632 -15.2041
25 O1a O 33.4997 -11.4252
26 O1a O 22.6662 -13.4492
27 C1b C 32.4585 -20.7377
28 C1y C 33.8038 -18.7080
29 O1a O 35.0090 -16.6723
30 O2a O 31.3003 -21.3811
31 O1a O 34.9036 -19.4508
32 C1y C 29.9839 -20.5272
33 C1y C 28.6913 -21.1706
34 O2x O 29.9666 -19.1409
35 C1y C 27.5972 -20.4335
36 O1a O 28.6445 -22.5511
37 C1y C 28.7909 -18.4038
38 C1y C 27.5741 -19.0590
39 O1a O 26.2989 -21.0887
40 C1a C 28.8435 -17.0174
41 O1a O 26.3925 -18.3919
BOND 45
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 14 19 2
19 15 20 2
20 15 21 1
21 16 22 1
22 17 23 1
23 17 24 1 #Down
24 18 25 1
25 19 26 1
26 22 27 1 #Up
27 22 28 1
28 23 29 1 #Up
29 27 30 1
30 28 31 1 #Down
31 32 30 1 #Up
32 32 33 1
33 32 34 1
34 33 35 1
35 33 36 1 #Down
36 34 37 1
37 35 38 1
38 35 39 1 #Down
39 37 40 1 #Down
40 38 41 1 #Up
41 9 10 2
42 13 18 1
43 19 20 1
44 23 28 1
45 37 38 1
|
|---|