COMPOUND: C19592
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Entry
C19592 Compound
Name
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
Formula
C17H16O8
Exact mass
348.0845
Mol weight
348.30
Structure
Mol file
KCF file
DB search
Reaction
R09413
R09415
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem:
124490264
ChEBI:
82583
KCF data
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ATOM 25
1 C8y C 24.6400 -18.2700
2 C8y C 25.8300 -17.5700
3 C8y C 24.6400 -19.6700
4 C8y C 27.0200 -18.2700
5 O7x O 25.8300 -16.1700
6 C8x C 25.8300 -20.3700
7 C8y C 28.2800 -17.5700
8 C8y C 27.0200 -19.6700
9 C8y C 27.0200 -15.4700
10 C8y C 28.2800 -16.1700
11 C1x C 29.6100 -17.9900
12 O2a O 28.2800 -20.3700
13 O6a O 27.0200 -14.0700
14 C5x C 29.6100 -15.7500
15 C1x C 30.4500 -16.8700
16 C1a C 29.4700 -19.6700
17 O5x O 30.0300 -14.4200
18 O1a O 23.3800 -20.3700
19 C1c C 23.4500 -17.5700
20 C1c C 22.2600 -18.2700
21 C1b C 21.0000 -17.5700
22 O1a O 19.8100 -18.2700
23 C4a C 23.4500 -16.1700
24 O4a O 22.2600 -15.4700
25 O1a O 22.2600 -19.5300
BOND 27
1 1 2 1
2 1 3 2
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 1
9 7 10 2
10 7 11 1
11 8 12 1
12 9 13 2
13 10 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 6 8 2
18 9 10 1
19 14 15 1
20 3 18 1
21 1 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 19 23 1
26 23 24 2
27 20 25 1
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Chemical substance (2)
PubChem (1)
ChEBI (1)
All databases (2)
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