COMPOUND: C06349
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Entry
C06349 Compound
Name
(R)-Coclaurine;
6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;
(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol
Formula
C17H19NO3
Exact mass
285.1365
Mol weight
285.34
Structure
Mol file
KCF file
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Other DBs
CAS:
2196-60-3
PubChem:
8585
KNApSAcK:
C00025652
C00027647
NIKKAJI:
J36.682J
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KCF data
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ATOM 21
1 C8y C 27.5385 -20.3882
2 C1y C 28.7587 -19.6876
3 C8y C 27.5326 -21.7894
4 C8x C 26.3241 -19.6819
5 C1b C 28.7645 -18.2924
6 N1x N 29.9730 -20.3999
7 C8x C 26.3241 -22.4900
8 C1x C 28.7470 -22.4957
9 C8y C 25.1041 -20.3882
10 C8y C 29.9789 -17.5975
11 C1x C 29.9672 -21.8011
12 C8y C 25.1041 -21.7894
13 O1a O 23.8956 -19.6876
14 C8x C 31.1815 -18.3041
15 C8x C 29.9789 -16.2023
16 O2a O 23.8956 -22.4900
17 C8x C 32.3900 -17.6092
18 C8x C 31.1931 -15.5075
19 C1a C 22.6871 -21.7951
20 C8y C 32.3959 -16.2140
21 O1a O 33.6101 -15.5192
BOND 23
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1 #Up
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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