COMPOUND: C16603
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Entry
C16603 Compound
Name
2,3-Dihydroxycarbamazepine
Formula
C15H12N2O3
Exact mass
268.0848
Mol weight
268.2674
Structure
Mol file
KCF file
DB search
Reaction
R08315
R08316
R08320
Pathway
map00982
Drug metabolism - cytochrome P450
Other DBs
PubChem:
51090929
ChEBI:
80598
NIKKAJI:
J2.804.057A
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KCF data
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ATOM 20
1 C8y C 24.3675 -20.3121
2 N1y N 25.6228 -19.6965
3 C8y C 26.8947 -20.2880
4 C8y C 27.2211 -21.6416
5 C8y C 24.0718 -21.6920
6 C2x C 26.3667 -22.7564
7 C2x C 24.9632 -22.7749
8 C8x C 23.3271 -19.3722
9 C8y C 21.9929 -19.8032
10 C8y C 21.6972 -21.1831
11 C8x C 22.7376 -22.1230
12 C8x C 28.5756 -22.0045
13 C8x C 29.5670 -21.0130
14 C8x C 29.2041 -19.6585
15 C8x C 27.8497 -19.2957
16 C5a C 25.6785 -18.2955
17 O5a O 24.4394 -17.5970
18 N1a N 26.8689 -17.5917
19 O1a O 20.3917 -21.6046
20 O1a O 20.9505 -18.8613
BOND 22
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 1 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 5 11 2
13 4 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 3 2
18 2 16 1
19 16 17 2
20 16 18 1
21 10 19 1
22 9 20 1
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