COMPOUND: C22569
Help
Entry
C22569 Compound
Name
(2E,4E)-2,4-Dihydroxy-4-[6-(4-hydroxyphenyl)-2,4-dioxodihydro-2H-pyran-3(4H)-ylidene]but-2-enoate
Formula
C15H12O8
Exact mass
320.0532
Mol weight
320.251
Structure
Mol file
KCF file
DB search
Reaction
R13075
R13076
Pathway
map00946
Degradation of flavonoids
LinkDB
All DBs
KCF data
Show
ATOM 23
1 C2y C 16.8038 -17.0137
2 C7x C 16.8038 -15.6134
3 C5x C 17.9940 -17.7138
4 C2c C 15.4735 -17.9238
5 O7x O 18.0640 -14.9133
6 C6a C 15.6135 -14.7033
7 C1x C 19.2542 -17.0137
8 O5x O 17.9940 -19.1141
9 C2b C 14.0733 -17.0137
10 O1a O 15.4735 -19.2541
11 C1y C 19.2542 -15.6134
12 C2c C 14.0733 -15.6134
13 C8y C 20.4444 -14.9133
14 O1a O 12.6731 -14.9133
15 C8x C 21.6347 -15.6134
16 C8x C 20.4444 -13.5130
17 C8x C 22.8949 -14.9133
18 C8x C 21.7047 -12.8129
19 C8y C 22.8949 -13.5130
20 O1a O 24.0851 -12.8129
21 O6a O 15.6135 -12.7430
22 O6a O 13.9111 -13.7233
23 O6a O 16.3261 -14.1911
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 7 1
6 3 8 2
7 4 9 1
8 4 10 1
9 5 11 1
10 6 12 1
11 11 13 1
12 12 14 1
13 13 15 2
14 13 16 1
15 15 17 1
16 16 18 2
17 17 19 2
18 19 20 1
19 7 11 1
20 9 12 2
21 18 19 1
22 6 21 1
23 6 22 2
24 2 23 2
» Japanese version
DBGET
integrated database retrieval system
