COMPOUND: C19489
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Entry
C19489 Compound
Name
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
Formula
C20H16O
Exact mass
272.1201
Mol weight
272.34
Structure
Mol file
KCF file
DB search
Reaction
R09416
R09417
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
map05204
Chemical carcinogenesis - DNA adducts
Enzyme
1.14.14.1
3.3.2.9
Other DBs
PubChem:
124490161
ChEBI:
82517
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KCF data
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ATOM 21
1 C8x C 18.6900 -19.0401
2 C8x C 18.6900 -20.4401
3 C8x C 19.9024 -21.1401
4 C8y C 21.1149 -20.4401
5 C8y C 21.1149 -19.0401
6 C8x C 19.9024 -18.3401
7 C8y C 22.3273 -21.1401
8 C8y C 23.5397 -20.4401
9 C8y C 23.5397 -19.0401
10 C8y C 22.3273 -18.3401
11 C8x C 24.7523 -21.1401
12 C8x C 25.9647 -20.4401
13 C8y C 25.9647 -19.0401
14 C8y C 24.7523 -18.3401
15 C1y C 27.1771 -18.3401
16 C1y C 27.1771 -16.9401
17 C2x C 25.9647 -16.2401
18 C2x C 24.7523 -16.9401
19 C1a C 22.3273 -16.9401
20 C1a C 22.3273 -22.5401
21 O2x O 28.3895 -17.6401
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 1
19 16 17 1
20 17 18 2
21 14 18 1
22 10 19 1
23 7 20 1
24 16 21 1
25 15 21 1
ยป Japanese version
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