COMPOUND: C06348
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Entry
C06348 Compound
Name
(R,S)-Coclaurine;
dl-Coclaurine;
6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;
Machiline
Formula
C17H19NO3
Exact mass
285.1365
Mol weight
285.34
Structure
Mol file
KCF file
DB search
Reaction
R05162
Enzyme
2.1.1.128
Other DBs
PubChem:
8584
ChEBI:
18417
KNApSAcK:
C00047850
NIKKAJI:
J6.009G
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KCF data
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ATOM 21
1 C8y C 26.0685 -19.1282
2 C1y C 27.2887 -18.4276
3 C8y C 26.0626 -20.5294
4 C8x C 24.8541 -18.4219
5 C1b C 27.2945 -17.0324
6 N1x N 28.5030 -19.1399
7 C8x C 24.8541 -21.2300
8 C1x C 27.2770 -21.2357
9 C8y C 23.6341 -19.1282
10 C8y C 28.5089 -16.3375
11 C1x C 28.4972 -20.5411
12 C8y C 23.6341 -20.5294
13 O1a O 22.4256 -18.4276
14 C8x C 29.7115 -17.0441
15 C8x C 28.5089 -14.9423
16 O2a O 22.4256 -21.2300
17 C8x C 30.9200 -16.3492
18 C8x C 29.7231 -14.2475
19 C1a C 21.2171 -20.5351
20 C8y C 30.9259 -14.9540
21 O1a O 32.1401 -14.2592
BOND 23
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 2
12 9 13 1
13 10 14 2
14 10 15 1
15 12 16 1
16 14 17 1
17 15 18 2
18 16 19 1
19 17 20 2
20 20 21 1
21 8 11 1
22 9 12 1
23 18 20 1
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