| Entry |
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| Name |
(13S,14R)-1-Hydroxy-13-O-acetyl-N-methylcanadine
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| Formula |
C23H26NO7
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| Exact mass |
428.1709
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| Mol weight |
428.455
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| Structure |
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| Reaction |
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| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00946 | Noscapine biosynthesis, (S)-reticuline => noscapine |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C1y C 18.5217 -15.5050
2 C8y C 17.2588 -14.8035
3 N2y N 19.7143 -14.8035 #+
4 C1y C 18.5217 -16.9082
5 C8y C 17.2588 -13.4003
6 C8y C 16.0662 -15.5050
7 C1x C 20.9070 -15.4349
8 C1x C 19.7143 -13.4003
9 C1a C 20.6966 -13.7511
10 C8y C 19.7143 -17.5396
11 C8x C 16.0662 -12.6987
12 C1x C 18.4515 -12.6987
13 C8y C 14.8033 -14.8736
14 C8y C 20.9070 -16.8381
15 C8x C 19.7844 -18.9427
16 C8y C 14.8033 -13.4704
17 O2x O 13.5404 -15.2946
18 C8y C 22.1699 -17.5396
19 C8x C 20.9772 -19.6443
20 O2x O 13.4703 -13.0495
21 C1x C 12.6986 -14.1720
22 C8y C 22.1699 -18.9427
23 O2a O 23.3625 -16.8381
24 O2a O 23.3625 -19.6443
25 C1a C 24.5552 -17.5396
26 C1a C 24.6254 -18.9427
27 O1a O 16.0662 -16.9082
28 O7a O 17.2956 -17.6605
29 C7a C 17.3658 -19.0637
30 C1a C 16.1533 -19.7637
31 O6a O 18.5782 -19.7637
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
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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