COMPOUND: C22569
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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
320.25
Structure
Mol file
KCF file
DB search
Reaction
R13075
R13076
Pathway
map00946
Degradation of flavonoids
Other DBs
PubChem:
497619928
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KCF data
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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
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