COMPOUND: C09348
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Entry
C09348 Compound
Name
6,7-Dimethoxyisoquinoline;
Backebergine
Formula
C11H11NO2
Exact mass
189.079
Mol weight
189.2105
Structure
Mol file
KCF file
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Other DBs
CAS:
15248-39-2
PubChem:
11539
ChEBI:
2971
KNApSAcK:
C00001815
3DMET:
B02885
NIKKAJI:
J690.640K
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KCF data
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ATOM 14
1 C8y C 29.2128 -18.8245
2 C8y C 29.2071 -20.2298
3 C8x C 28.0000 -18.1305
4 C8x C 30.4316 -18.1305
5 C8x C 28.0000 -20.9295
6 C8x C 30.4199 -20.9353
7 C8y C 26.7812 -18.8245
8 C8x C 31.6446 -18.8362
9 C8y C 26.7812 -20.2298
10 N5x N 31.6387 -20.2355
11 O2a O 25.5801 -18.1305
12 O2a O 25.5801 -20.9295
13 C1a C 24.3671 -18.8245
14 C1a C 24.3671 -20.2298
BOND 15
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 6 10 2
10 7 11 1
11 9 12 1
12 11 13 1
13 12 14 1
14 7 9 1
15 8 10 1
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