COMPOUND: C19604
Help
Entry
C19604 Compound
Name
7,12-Dimethylbenz[a]anthracene 5,6-oxide;
DMBA-5,6-epoxide
Formula
C20H16O
Exact mass
272.1201
Mol weight
272.34
Structure
Mol file
KCF file
DB search
Reaction
R09442
R09443
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
1.14.14.1
3.3.2.9
Other DBs
CAS:
39834-38-3
PubChem:
124490273
LinkDB
All DBs
KCF data
Show
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 C1y C 24.7523 -21.1401
12 C1y C 25.9647 -20.4401
13 C8y C 25.9647 -19.0401
14 C8y C 24.7523 -18.3401
15 C8x C 27.1771 -18.3401
16 C8x C 27.1771 -16.9401
17 C8x C 25.9647 -16.2401
18 C8x C 24.7523 -16.9401
19 C1a C 22.3273 -16.9401
20 C1a C 22.3273 -22.5401
21 O2x O 25.9647 -21.8401
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 1
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 14 18 1
22 10 19 1
23 7 20 1
24 11 21 1
25 12 21 1
» Japanese version
DBGET
integrated database retrieval system
