| | COMPOUND: C19869 | |
Entry |
|
Name |
beta-D-Gentiobiosyl crocetin
|
Formula |
C32H44O14
|
Exact mass |
652.2731
|
Mol weight |
652.6834
|
Structure |
|
Reaction |
|
Pathway |
map00999 | Biosynthesis of various plant secondary metabolites |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00900 | Crocin biosynthesis, crocetin => crocin |
|
Enzyme |
|
Other DBs |
|
KCF data |
ATOM 46
1 C1y C 15.4700 -22.0500
2 O2x O 14.2800 -21.3500
3 O2a O 16.6600 -21.3500
4 C1y C 15.4700 -23.4500
5 C1y C 13.0900 -22.0500
6 C1b C 17.9900 -20.4400
7 C1y C 14.2800 -24.0800
8 O1a O 16.6600 -24.0800
9 C1y C 13.0900 -23.4500
10 C1b C 11.8300 -21.3500
11 C1y C 19.2500 -21.2100
12 O1a O 14.2800 -25.4800
13 O1a O 11.8300 -24.0800
14 O1a O 10.6400 -22.0500
15 C1y C 19.2500 -22.5400
16 O2x O 20.4400 -20.5100
17 C1y C 20.4400 -23.2400
18 O1a O 18.0600 -23.0300
19 C1y C 21.7000 -21.2100
20 C1y C 21.7000 -22.5400
21 O1a O 20.4400 -24.6400
22 O1a O 22.8900 -23.2400
23 C2b C 38.4300 -18.4100
24 C2c C 39.6200 -19.1100
25 C2b C 37.2400 -19.1100
26 C6a C 40.8800 -18.4100
27 C1a C 39.6200 -20.5100
28 C2b C 36.0500 -18.4100
29 O6a O 42.0700 -19.1100
30 C2c C 34.7900 -19.1100
31 C2b C 33.6000 -18.4100
32 C1a C 34.7900 -20.5100
33 C2b C 32.4100 -19.1100
34 C2b C 31.1500 -18.4100
35 C2b C 30.0300 -19.1100
36 C2c C 28.8400 -18.4100
37 C2b C 27.5800 -19.1100
38 C1a C 28.8400 -17.0100
39 C2b C 26.3900 -18.4100
40 C2b C 25.2000 -19.1100
41 C2c C 24.0100 -18.4100
42 C7a C 22.7500 -19.1100
43 C1a C 24.0100 -17.0100
44 O7a O 22.7500 -20.5100
45 O6a O 21.5600 -18.4100
46 O6a O 40.8800 -17.0100
BOND 47
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 11 6 1 #Up
11 7 12 1 #Up
12 9 13 1 #Down
13 10 14 1
14 11 15 1
15 11 16 1
16 15 17 1
17 15 18 1 #Down
18 16 19 1
19 17 20 1
20 17 21 1 #Up
21 20 22 1 #Down
22 7 9 1
23 19 20 1
24 23 24 2
25 23 25 1
26 24 26 1
27 24 27 1
28 25 28 2
29 26 29 1
30 28 30 1
31 30 31 2
32 30 32 1
33 31 33 1
34 33 34 2
35 34 35 1
36 35 36 2
37 36 37 1
38 36 38 1
39 37 39 2
40 39 40 1
41 40 41 2
42 41 42 1
43 41 43 1
44 42 44 1
45 42 45 2
46 26 46 2
47 19 44 1 #Up
|
|
» Japanese version
|
|