| Entry |
|
|---|
| Name |
Ecgonine methyl ester;
Methyl ecgonine
|
|---|
| Formula |
C10H17NO3
|
|---|
| Exact mass |
199.1208
|
|---|
| Mol weight |
199.25
|
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| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
| map00960 | Tropane, piperidine and pyridine alkaloid biosynthesis |
| map01064 | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from ornithine
Tropane alkaloids
C12448 Ecgonine methyl ester
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 14
1 C1x C 26.0390 -20.6440
2 C1y C 24.6446 -19.6576
3 C1y C 24.5686 -20.6440
4 N1y N 23.8345 -18.7741
5 C1x C 23.6569 -20.2315
6 C1x C 23.1458 -21.2870
7 C1a C 23.8245 -17.3971
8 C1y C 26.0390 -19.6576
9 C1y C 26.9801 -21.1050
10 O1a O 28.3689 -20.9732
11 C7a C 26.6725 -18.4501
12 O7a O 28.0366 -18.4777
13 O6a O 25.9871 -17.2557
14 C1a C 28.7736 -19.5973
BOND 15
1 3 4 1
2 5 6 1
3 4 7 1
4 9 1 1
5 8 2 1
6 8 9 1
7 1 3 1
8 9 10 1 #Up
9 2 4 1
10 8 11 1 #Up
11 2 5 1
12 11 12 1
13 3 6 1
14 11 13 2
15 12 14 1
|
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