Entry |
|
Name |
cis-beta-D-Glucosyl-2-hydroxycinnamate;
beta-D-Glucosyl-2-coumarinate
|
Formula |
C15H18O8
|
Exact mass |
326.1002
|
Mol weight |
326.2986
|
Structure |
|
Reaction |
|
Pathway |
map00999 | Biosynthesis of various plant secondary metabolites |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Others
C05839 cis-beta-D-Glucosyl-2-hydroxycinnamate
|
Other DBs |
|
KCF data |
ATOM 23
1 C8y C 11.2700 -16.9400
2 C8x C 11.2700 -18.3400
3 C8x C 12.4824 -19.0400
4 C8x C 13.6949 -18.3400
5 C8x C 13.6949 -16.9400
6 C8y C 12.4824 -16.2400
7 C2b C 12.4824 -14.8402
8 C2b C 13.6780 -14.1498
9 C6a C 14.8652 -14.8352
10 O6a O 16.0566 -14.1472
11 O6a O 14.8653 -16.2398
12 O2a O 10.0576 -16.2400
13 C1y C 8.8621 -16.9304
14 O2x O 7.6747 -16.2449
15 C1y C 6.4623 -16.9449
16 C1y C 6.4623 -18.3449
17 C1y C 7.6497 -19.0304
18 C1y C 8.8621 -18.3304
19 C1b C 5.2311 -16.2340
20 O1a O 7.6498 -20.4399
21 O1a O 4.0303 -16.9273
22 O1a O 5.2355 -19.0535
23 O1a O 10.0996 -19.0450
BOND 24
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 9 11 2
12 1 12 1
13 13 12 1 #Up
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 15 19 1 #Up
21 17 20 1 #Up
22 19 21 1
23 16 22 1 #Down
24 18 23 1 #Down
|