COMPOUND: C06346
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Entry
C06346 Compound
Name
(R,S)-Norcoclaurine;
Norcoclaurine;
6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;
Higenamine
Formula
C16H17NO3
Exact mass
271.1208
Mol weight
271.31
Structure
Mol file
KCF file
DB search
Reaction
R05162
Enzyme
2.1.1.128
Other DBs
CAS:
5843-65-2
PubChem:
8582
ChEBI:
18418
KNApSAcK:
C00049556
NIKKAJI:
J447.388D
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KCF data
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ATOM 20
1 C8y C 23.6882 -18.8892
2 C1y C 24.9026 -18.1885
3 C8y C 23.6823 -20.2962
4 C8x C 22.4737 -18.1828
5 C1b C 24.9085 -16.7932
6 N1x N 26.1171 -18.9008
7 C8x C 22.4737 -20.9911
8 C1x C 24.8909 -20.9968
9 C8y C 21.2535 -18.8892
10 C8y C 26.1228 -16.0983
11 C1x C 26.1112 -20.3079
12 C8y C 21.2535 -20.2962
13 O1a O 20.0449 -18.1945
14 C8x C 27.3257 -16.8049
15 C8x C 26.1228 -14.7030
16 O1a O 20.0449 -20.9968
17 C8x C 28.5400 -16.1100
18 C8x C 27.3372 -14.0140
19 C8y C 28.5458 -14.7147
20 O1a O 29.7543 -14.0200
BOND 22
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 17 19 2
19 19 20 1
20 8 11 1
21 9 12 1
22 18 19 1
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