Entry |
|
Name |
Quillaic acid 3-O-beta-D-glucuronide;
Quillaic acid 3-O-beta-D-GlcA
|
Formula |
C36H54O11
|
Exact mass |
662.3666
|
Mol weight |
662.8074
|
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.-
|
LinkDB |
|
KCF data |
ATOM 47
1 C1y C 11.8724 -18.8247
2 C1y C 11.8724 -20.2163
3 O2x O 13.0668 -18.1231
4 C6a C 10.6662 -18.1927
5 C1y C 13.0668 -20.9064
6 O1a O 10.6662 -20.9064
7 C1y C 14.2787 -18.8247
8 O6a O 9.6051 -19.0972
9 O6a O 10.6662 -16.7430
10 C1y C 14.2787 -20.2163
11 O1a O 13.0668 -22.2980
12 O1a O 15.4788 -20.9064
13 C1z C 25.3625 -13.7231
14 C1y C 24.1961 -13.0164
15 C1y C 25.3625 -15.0964
16 C1x C 26.5748 -13.0509
17 C6a C 26.5634 -14.4069
18 C2y C 22.9781 -13.6943
19 C1x C 24.1961 -11.6488
20 C1x C 24.1616 -15.7685
21 O1a O 25.3625 -16.4753
22 C1x C 26.5748 -11.6776
23 C1z C 22.9781 -15.0675
24 C2x C 21.8059 -12.9933
25 C1z C 25.4141 -10.9823
26 C1z C 21.7829 -15.7455
27 C1a C 22.9781 -16.4408
28 C1x C 20.5993 -13.6772
29 C1a C 26.0921 -9.5694
30 C1a C 24.7080 -9.6379
31 C1y C 20.5993 -15.0504
32 C1x C 21.7829 -17.1245
33 C1a C 22.3909 -14.3609
34 C1z C 19.3985 -15.7340
35 C1x C 20.5878 -17.8140
36 C1y C 19.3985 -17.1189
37 C1x C 18.2091 -15.0504
38 C1a C 19.3985 -14.3550
39 C1z C 18.2091 -17.8083
40 C1x C 17.0082 -15.7340
41 C1y C 17.0082 -17.1189
42 C4a C 18.6283 -19.1414
43 C1a C 17.5024 -19.0034
44 O2a O 15.8133 -17.8140
45 O6a O 27.7441 -13.7104
46 O6a O 26.5634 -15.7795
47 O4a O 19.7901 -20.1205
BOND 52
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 5 11 1 #Up
11 10 12 1 #Down
12 7 10 1
13 13 16 1
14 13 17 1 #Up
15 14 18 1
16 14 19 1
17 15 20 1
18 15 21 1 #Down
19 16 22 1
20 18 23 1
21 18 24 2
22 19 25 1
23 23 26 1
24 23 27 1 #Down
25 24 28 1
26 25 29 1
27 25 30 1
28 26 31 1
29 26 32 1
30 26 33 1 #Up
31 31 34 1
32 32 35 1
33 34 36 1
34 34 37 1
35 34 38 1 #Up
36 36 39 1
37 37 40 1
38 39 41 1
39 39 42 1 #Down
40 39 43 1 #Up
41 41 44 1 #Up
42 20 23 1
43 22 25 1
44 28 31 1
45 35 36 1
46 40 41 1
47 17 45 1
48 13 14 1
49 17 46 2
50 13 15 1
51 42 47 2
52 7 44 1 #Up
|