COMPOUND: C06167
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Entry
C06167 Compound
Name
1,2-Dehydroreticuline;
1,2-Dehydroreticulinium;
3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium
Formula
C19H22NO4
Exact mass
328.1549
Mol weight
328.38
Structure
Mol file
KCF file
DB search
Reaction
R03833
R04695
Pathway
map00950
Isoquinoline alkaloid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00944
Morphine biosynthesis, (S)-reticuline => morphine
Enzyme
1.5.1.27
1.14.19.54
Other DBs
CAS:
16202-17-8
PubChem:
8421
ChEBI:
18363
KNApSAcK:
C00027111
NIKKAJI:
J471.975A
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All DBs
KCF data
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ATOM 24
1 C8y C 27.6940 -18.3004
2 C2y C 28.8994 -17.6254
3 C8y C 27.6883 -19.6903
4 C8x C 26.5059 -17.6025
5 C1b C 28.8994 -16.2470
6 N2y N 30.0990 -18.3119 #+
7 C8x C 26.4885 -20.3767
8 C1x C 28.8879 -20.3883
9 C8y C 25.3004 -18.2829
10 C8y C 30.0990 -15.5549
11 C1x C 30.0934 -19.6962
12 C1a C 31.6384 -17.2744
13 C8y C 25.2889 -19.6673
14 O1a O 24.1066 -17.5910
15 C8x C 31.2930 -16.2414
16 C8x C 30.0990 -14.1765
17 O2a O 24.0835 -20.3537
18 C8y C 32.4812 -15.5493
19 C8x C 31.2872 -13.4901
20 C1a C 22.8839 -19.6557
21 C8y C 32.4812 -14.1707
22 O1a O 33.6635 -16.2645
23 O2a O 33.6751 -13.5016
24 C1a C 34.8631 -14.2053
BOND 26
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 2
15 10 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 17 20 1
20 18 21 2
21 18 22 1
22 21 23 1
23 23 24 1
24 8 11 1
25 9 13 2
26 19 21 1
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