| Entry |
|
|---|
| Name |
Quillaic acid 3-O-beta-D-galactosyl-1,2-beta-D-glucuronide;
Quillaic acid 3-O-beta-D-Gal-(1->2)-beta-D-GlcA
|
|---|
| Formula |
C42H64O16
|
|---|
| Exact mass |
824.4194
|
|---|
| Mol weight |
824.948
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00971 | QS-7 biosynthesis, 2,3-epoxysqualene => QS-7 |
|
|---|
| Enzyme |
2.4.1.- 2.4.2.-
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 58
1 C1y C 14.2668 -24.5516
2 C1y C 15.4819 -25.2479
3 O2x O 14.2598 -23.1555
4 C1b C 13.0558 -25.2567
5 C1y C 16.6900 -24.5480
6 O1a O 15.4860 -26.6492
7 C1y C 15.4736 -22.4455
8 O1a O 13.3177 -26.6307
9 C1y C 16.6888 -23.1417
10 O1a O 17.9051 -25.2442
11 O1a O 17.8968 -22.4418
12 C1y C 11.8952 -18.8225
13 C1y C 11.8952 -20.2219
14 O2x O 13.0848 -18.1227
15 C6a C 10.6357 -18.1927
16 C1y C 13.0848 -20.9216
17 O1a O 10.6357 -20.9216
18 C1y C 14.2743 -18.8225
19 O6a O 9.5862 -19.1024
20 O6a O 10.6357 -16.7233
21 C1y C 14.2743 -20.2219
22 O1a O 13.0848 -22.3211
23 O2a O 15.4638 -20.9216
24 C1z C 25.3299 -13.7145
25 C1y C 24.2103 -13.0148
26 C1y C 25.3299 -15.1140
27 C1x C 26.5894 -13.0148
28 C6a C 26.5194 -14.4142
29 C2y C 22.9508 -13.7145
30 C1x C 24.2103 -11.6154
31 C1x C 24.1403 -15.7437
32 O1a O 25.3299 -16.4434
33 C1x C 26.5894 -11.6853
34 C1z C 22.9508 -15.0440
35 C2x C 21.8313 -13.0148
36 C1z C 25.3998 -10.9856
37 C1z C 21.7613 -15.7437
38 C1a C 22.9508 -16.4434
39 C1x C 20.5718 -13.6445
40 C1a C 26.0996 -9.5862
41 C1a C 24.7001 -9.6561
42 C1y C 20.5718 -15.0440
43 C1x C 21.7613 -17.1431
44 C1a C 22.3910 -14.3443
45 C1z C 19.3822 -15.7437
46 C1x C 20.5718 -17.7729
47 C1y C 19.3822 -17.1431
48 C1x C 18.1927 -15.0440
49 C1a C 19.3822 -14.3443
50 C1z C 18.1927 -17.7729
51 C1x C 17.0032 -15.7437
52 C1y C 17.0032 -17.1431
53 C4a C 18.6126 -19.1024
54 C1a C 17.4930 -18.9624
55 O2a O 15.8137 -17.7729
56 O6a O 27.7089 -13.7145
57 O6a O 26.5194 -15.7437
58 O4a O 19.8021 -20.0820
BOND 64
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1 #Down
11 7 9 1
12 12 13 1
13 12 14 1
14 12 15 1 #Up
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 15 19 1
19 15 20 2
20 16 21 1
21 16 22 1 #Up
22 21 23 1 #Down
23 18 21 1
24 24 27 1
25 24 28 1 #Up
26 25 29 1
27 25 30 1
28 26 31 1
29 26 32 1 #Down
30 27 33 1
31 29 34 1
32 29 35 2
33 30 36 1
34 34 37 1
35 34 38 1 #Down
36 35 39 1
37 36 40 1
38 36 41 1
39 37 42 1
40 37 43 1
41 37 44 1 #Up
42 42 45 1
43 43 46 1
44 45 47 1
45 45 48 1
46 45 49 1 #Up
47 47 50 1
48 48 51 1
49 50 52 1
50 50 53 1 #Down
51 50 54 1 #Up
52 52 55 1 #Up
53 31 34 1
54 33 36 1
55 39 42 1
56 46 47 1
57 51 52 1
58 28 56 1
59 24 25 1
60 28 57 2
61 24 26 1
62 53 58 2
63 18 55 1 #Up
64 7 23 1 #Up
|
|---|
