COMPOUND: C09555
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Entry
C09555 Compound
Name
(-)-Laudanidine;
(R)-Laudanine;
5-[((1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
Formula
C20H25NO4
Exact mass
343.1784
Mol weight
343.4168
Structure
Mol file
KCF file
DB search
Reaction
R10606
Enzyme
2.1.1.291
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C09555 (-)-Laudanidine
BRITE hierarchy
Other DBs
CAS:
301-21-3
PubChem:
11746
ChEBI:
76105
KNApSAcK:
C00001875
3DMET:
B03076
NIKKAJI:
J8.629K
LinkDB
All DBs
KCF data
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ATOM 25
1 C8y C 29.1200 -10.2900
2 C8y C 29.1200 -8.8900
3 C8x C 27.8600 -8.1900
4 C8y C 26.6700 -8.8900
5 C8y C 26.6700 -10.2900
6 C8x C 27.8600 -10.9900
7 C1x C 30.3100 -10.9900
8 C1x C 31.5000 -10.2900
9 N1y N 31.5000 -8.8900
10 C1y C 30.3100 -8.1900
11 C1b C 30.3100 -6.7900
12 C8y C 29.0500 -6.0900
13 C8x C 29.0500 -4.6900
14 C8y C 27.8600 -3.9900
15 C8y C 26.6700 -4.6900
16 C8x C 26.6700 -6.0900
17 C8x C 27.8600 -6.7900
18 C1a C 32.7600 -8.1200
19 O2a O 25.4800 -8.1200
20 C1a C 24.2200 -8.8200
21 O2a O 25.4800 -10.9900
22 C1a C 24.2200 -10.2900
23 O2a O 25.4100 -3.9900
24 C1a C 25.4100 -2.5900
25 O1a O 27.8600 -2.5900
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 2 10 1
12 10 11 1 #Up
13 11 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 12 17 2
20 9 18 1
21 4 19 1
22 19 20 1
23 5 21 1
24 21 22 1
25 15 23 1
26 23 24 1
27 14 25 1
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