| Entry |
|
|---|
| Name |
(S)-N-Methylcoclaurine;
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
|
|---|
| Formula |
C18H21NO3
|
|---|
| Exact mass |
299.1521
|
|---|
| Mol weight |
299.3642
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00943 | Reticuline biosynthesis, dopamine + 4HPAA => (S)-reticuline |
|
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| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C05176 (S)-N-Methylcoclaurine
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 22
1 C8y C 25.8671 -21.9891
2 C1y C 27.0853 -21.2981
3 C8y C 25.9313 -23.3946
4 C8x C 24.6608 -21.2923
5 C1b C 27.0911 -19.8926
6 N1y N 28.2975 -22.0009
7 C8x C 24.6608 -24.0914
8 C1x C 27.0736 -24.0974
9 C8y C 23.4426 -21.9891
10 C8y C 28.3092 -19.2016
11 C1x C 28.2916 -23.4004
12 C1a C 29.5098 -21.3041
13 C8y C 23.4426 -23.3946
14 O1a O 22.2304 -21.2923
15 C8x C 29.5155 -19.9043
16 C8x C 28.3092 -17.8020
17 O2a O 22.2304 -24.0914
18 C8x C 30.7278 -19.2133
19 C8x C 29.5273 -17.1050
20 C1a C 21.0183 -23.3946
21 C8y C 30.7335 -17.8078
22 O1a O 31.9517 -17.1168
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1 #Down
5 2 6 1
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 21 22 1
22 8 11 1
23 9 13 2
24 19 21 1
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