COMPOUND: C22656
Help
Entry
C22656 Compound
Name
Quillaic acid 3-O-beta-D-xylosyl-1,3-(beta-D-galactosyl-1,2)-beta-D-glucuronide-28-O-beta-D-fucoside;
Quillaic acid 3-O-beta-D-Xyl-(1->3)-[beta-D-Gal-(1->2)]-beta-D-GlcA-28-O-beta-D-Fuc
Formula
C53H82O24
Exact mass
1102.5196
Mol weight
1103.20
Structure
Mol file
KCF file
DB search
Reaction
R13155
R13157
Pathway
map00999
Biosynthesis of various plant secondary metabolites
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00971
QS-7 biosynthesis, 2,3-epoxysqualene => QS-7
Enzyme
2.4.1.-
Other DBs
PubChem:
497620015
LinkDB
All DBs
KCF data
Show
ATOM 77
1 C1y C 31.4300 -14.9800
2 C1y C 32.5500 -14.2800
3 C1y C 30.2400 -14.2800
4 O1a O 31.4300 -16.3800
5 C1y C 32.5500 -12.8800
6 O1a O 33.8100 -14.9800
7 C1y C 30.2400 -12.8800
8 O1a O 28.9800 -14.9800
9 O2x O 31.4300 -12.1800
10 C1a C 33.8100 -12.1800
11 C1y C 11.4100 -22.7500
12 C1y C 12.6000 -22.0500
13 C1y C 10.2200 -22.0500
14 O1a O 11.4100 -24.1500
15 C1y C 12.6000 -20.6500
16 O1a O 13.7900 -22.7500
17 C1x C 10.2200 -20.6500
18 O1a O 9.0300 -22.7500
19 O2x O 11.4100 -19.9500
20 C1y C 15.7500 -22.2600
21 C1y C 16.9400 -22.9600
22 O2x O 15.7500 -20.9300
23 C1b C 14.4900 -22.9600
24 C1y C 18.0600 -22.2600
25 O1a O 16.9400 -24.3600
26 C1y C 16.9400 -20.2300
27 O1a O 14.7700 -24.3600
28 C1y C 18.0600 -20.9300
29 O1a O 19.2500 -22.9600
30 O1a O 19.2500 -20.2300
31 C1y C 13.3700 -16.6600
32 C1y C 13.3700 -17.9900
33 O2x O 14.5600 -15.9600
34 C6a C 12.1100 -16.0300
35 C1y C 14.5600 -18.6900
36 O1a O 12.1100 -18.6900
37 C1y C 15.7500 -16.6600
38 O6a O 11.0600 -16.9400
39 O6a O 12.1100 -14.6300
40 C1y C 15.7500 -17.9900
41 O2a O 16.9400 -18.6900
42 C1z C 26.6000 -11.6200
43 C1y C 25.4800 -10.9200
44 C1y C 26.6000 -13.0200
45 C1x C 27.8600 -10.9200
46 C7a C 27.7900 -12.3200
47 C2y C 24.2200 -11.6200
48 C1x C 25.4800 -9.5200
49 C1x C 25.4100 -13.6500
50 O1a O 26.6000 -14.3500
51 C1x C 27.8600 -9.5900
52 C1z C 24.2200 -12.9500
53 C2x C 23.1000 -10.9200
54 C1z C 26.6700 -8.9600
55 C1z C 23.1000 -13.6500
56 C1a C 24.2200 -14.3500
57 C1x C 21.9100 -11.5500
58 C1a C 27.3700 -7.5600
59 C1a C 25.9700 -7.6300
60 C1y C 21.9100 -12.9500
61 C1x C 23.1000 -15.0500
62 C1a C 23.6600 -12.2500
63 C1z C 20.7900 -13.6500
64 C1x C 21.9100 -15.6100
65 C1y C 20.7900 -15.0500
66 C1x C 19.6000 -12.9500
67 C1a C 20.7900 -12.2500
68 C1z C 19.6000 -15.6800
69 C1x C 18.4100 -13.6500
70 C1y C 18.4100 -15.0500
71 C4a C 20.0200 -16.9400
72 C1a C 18.9000 -16.8000
73 O2a O 17.2200 -15.6100
74 O7a O 28.9800 -11.6200
75 O6a O 27.7900 -13.6500
76 O4a O 21.2100 -17.8500
77 O2a O 14.5600 -20.0900
BOND 85
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Up
8 5 9 1
9 5 10 1 #Down
10 7 9 1
11 11 12 1
12 11 13 1
13 11 14 1 #Up
14 12 15 1
15 12 16 1 #Down
16 13 17 1
17 13 18 1 #Down
18 15 19 1
19 17 19 1
20 20 21 1
21 20 22 1
22 20 23 1 #Up
23 21 24 1
24 21 25 1 #Up
25 22 26 1
26 23 27 1
27 24 28 1
28 24 29 1 #Up
29 28 30 1 #Down
30 26 28 1
31 31 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1
35 32 36 1 #Down
36 33 37 1
37 34 38 1
38 34 39 2
39 35 40 1
40 40 41 1 #Down
41 37 40 1
42 42 45 1
43 42 46 1 #Up
44 43 47 1
45 43 48 1
46 44 49 1
47 44 50 1 #Down
48 45 51 1
49 47 52 1
50 47 53 2
51 48 54 1
52 52 55 1
53 52 56 1 #Down
54 53 57 1
55 54 58 1
56 54 59 1
57 55 60 1
58 55 61 1
59 55 62 1 #Up
60 60 63 1
61 61 64 1
62 63 65 1
63 63 66 1
64 63 67 1 #Up
65 65 68 1
66 66 69 1
67 68 70 1
68 68 71 1 #Down
69 68 72 1 #Up
70 70 73 1 #Up
71 49 52 1
72 51 54 1
73 57 60 1
74 64 65 1
75 69 70 1
76 46 74 1
77 42 43 1
78 46 75 2
79 42 44 1
80 71 76 2
81 37 73 1 #Up
82 26 41 1 #Up
83 35 77 1 #Up
84 15 77 1 #Up
85 7 74 1 #Down
» Japanese version
DBGET
integrated database retrieval system
