| Entry |
|
|---|
| Name |
(13S,14R)-13-O-Acetyl-1,8-dihydroxy-cis-N-methylcanadine
|
|---|
| Formula |
C23H26NO8
|
|---|
| Exact mass |
444.1658
|
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| Mol weight |
444.45
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00946 | Noscapine biosynthesis, (S)-reticuline => noscapine |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 32
1 C1y C 18.5292 -15.2774
2 C8y C 17.2848 -14.5862
3 N2y N 19.7044 -14.5862 #+
4 C1y C 18.5292 -16.7292
5 C8y C 17.2848 -13.2035
6 C8y C 16.1096 -15.2774
7 C1y C 20.8797 -15.2083
8 C1x C 19.7044 -13.2035
9 C1a C 20.7396 -12.7802
10 C8y C 19.7044 -17.3514
11 C8x C 16.1096 -12.5122
12 C1x C 18.4601 -12.5122
13 C8y C 14.7962 -14.5858
14 C8y C 20.8797 -16.6601
15 C8x C 19.7041 -18.7340
16 C8y C 14.7962 -13.2727
17 O2x O 13.5517 -15.0700
18 C8y C 22.1240 -17.3514
19 C8x C 20.9488 -19.4253
20 O2x O 13.4827 -12.8578
21 C1x C 12.7222 -13.9639
22 C8y C 22.1240 -18.7340
23 O2a O 23.2992 -16.6601
24 O2a O 23.2992 -19.4253
25 C1a C 24.4745 -17.3514
26 C1a C 24.5436 -18.7340
27 O1a O 16.1096 -16.7292
28 O7a O 17.2848 -17.4205
29 C7a C 17.2845 -18.8031
30 C1a C 16.1787 -19.4944
31 O6a O 18.5292 -19.4944
32 O1a O 22.0828 -14.5136
BOND 36
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
36 7 32 1
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