| Entry |
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| Name |
(13S,14R)-13-O-Acetyl-1-hydroxy-cis-N-methylcanadine
|
|---|
| Formula |
C23H26NO7
|
|---|
| Exact mass |
428.1709
|
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| Mol weight |
428.45
|
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| Structure |
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| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00946 | Noscapine biosynthesis, (S)-reticuline => noscapine |
|
|---|
| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C1y C 25.3452 -30.4914
2 C8y C 24.0991 -29.7993
3 N2y N 26.5219 -29.7993 #+
4 C1y C 25.3452 -31.8759
5 C8y C 24.0991 -28.4148
6 C8y C 22.9224 -30.4914
7 C1x C 27.6988 -30.4222
8 C1x C 26.5219 -28.4148
9 C1a C 27.6984 -28.0703
10 C8y C 26.5219 -32.4989
11 C8x C 22.9224 -27.7226
12 C1x C 25.2759 -27.7226
13 C8y C 21.6764 -29.8684
14 C8y C 27.6988 -31.8068
15 C8x C 26.5219 -33.8834
16 C8y C 21.6764 -28.4840
17 O2x O 20.4303 -30.2838
18 C8y C 28.9449 -32.4989
19 C8x C 27.7680 -34.5756
20 O2x O 20.3611 -28.0687
21 C1x C 19.5997 -29.1762
22 C8y C 28.9449 -33.8834
23 O2a O 30.1216 -31.8068
24 O2a O 30.1216 -34.5756
25 C1a C 31.2984 -32.4989
26 C1a C 31.3677 -33.8834
27 O1a O 22.9224 -31.8759
28 O7a O 24.2047 -32.6182
29 C7a C 24.2047 -34.0028
30 C1a C 23.0083 -34.6935
31 O6a O 25.4009 -34.6935
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 3 9 1 #Down
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 1
13 7 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 14 18 1
18 15 19 2
19 16 20 1
20 17 21 1
21 18 22 2
22 18 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 8 12 1
27 10 14 2
28 13 16 2
29 19 22 1
30 20 21 1
31 6 27 1
32 28 29 1
33 4 28 1 #Down
34 29 30 1
35 29 31 2
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