COMPOUND: C05201
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Entry
C05201 Compound
Name
(R,S)-Tetrahydrobenzylisoquinoline;
(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline
Formula
C16H17N
Exact mass
223.1361
Mol weight
223.3129
Structure
Mol file
KCF file
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Reaction
R04713
Enzyme
2.1.1.115
Other DBs
PubChem:
7606
ChEBI:
16804
NIKKAJI:
J2.754.910A
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KCF data
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ATOM 17
1 C1y C 28.1402 -19.7161
2 C8y C 26.9236 -20.4090
3 C1b C 28.1461 -18.3072
4 N1x N 29.3512 -20.4148
5 C8y C 26.9177 -21.8063
6 C8x C 25.7125 -19.7104
7 C8y C 29.3512 -17.5969
8 C1x C 29.3453 -21.8179
9 C1x C 28.1286 -22.5164
10 C8x C 25.7125 -22.5107
11 C8x C 24.4958 -20.4090
12 C8x C 30.5621 -18.2956
13 C8x C 29.3512 -16.1998
14 C8x C 24.4958 -21.8063
15 C8x C 31.7732 -17.6028
16 C8x C 30.5680 -15.5012
17 C8x C 31.7732 -16.2056
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 2
12 7 13 1
13 10 14 1
14 12 15 1
15 13 16 2
16 15 17 2
17 8 9 1
18 11 14 2
19 16 17 1
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