| Entry |
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| Name |
(13S,14R)-1,8-Dihydroxy-13-O-acetyl-N-methylcanadine
|
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| Formula |
C23H26NO8
|
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| Exact mass |
444.1658
|
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| Mol weight |
444.4544
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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 32
1 C1y C 18.5307 -15.4655
2 C8y C 17.2767 -14.7689
3 N2y N 19.7149 -14.7689 #+
4 C1y C 18.5307 -16.9284
5 C8y C 17.2767 -13.3756
6 C8y C 16.0925 -15.4655
7 C1y C 20.8992 -15.3958
8 C1x C 19.7149 -13.3756
9 C1a C 21.0402 -13.5839
10 C8y C 19.7149 -17.5554
11 C8x C 16.0925 -12.6790
12 C1x C 18.4610 -12.6790
13 C8y C 14.7689 -14.7685
14 C8y C 20.8992 -16.8588
15 C8x C 19.7146 -18.9487
16 C8y C 14.7689 -13.4453
17 O2x O 13.5149 -15.2565
18 C8y C 22.1531 -17.5554
19 C8x C 20.9689 -19.6453
20 O2x O 13.4453 -13.0273
21 C1x C 12.6790 -14.1419
22 C8y C 22.1531 -18.9487
23 O2a O 23.3374 -16.8588
24 O2a O 23.3374 -19.6453
25 C1a C 24.5217 -17.5554
26 C1a C 24.5913 -18.9487
27 O1a O 16.0925 -16.9284
28 O7a O 17.2767 -17.6251
29 C7a C 17.2764 -19.0183
30 C1a C 16.1621 -19.7149
31 O6a O 18.5307 -19.7149
32 O1a O 22.1116 -14.6958
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
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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