 | | COMPOUND: C21587 | |
| Entry |
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| Name |
(13S,14R)-1,13-Dihydroxy-cis-N-methylcanadine
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| Formula |
C21H24NO6
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| Exact mass |
386.1604
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| Mol weight |
386.4184
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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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| KCF data |
ATOM 28
1 C1y C 18.4800 -15.3300
2 C8y C 17.2200 -14.6300
3 N2y N 19.6700 -14.6300 #+
4 C1y C 18.4800 -16.7300
5 C8y C 17.2200 -13.2300
6 C8y C 16.0300 -15.3300
7 C1x C 20.8600 -15.2600
8 C1x C 19.6700 -13.2300
9 C1a C 20.8600 -12.8100
10 C8y C 19.6700 -17.3600
11 C8x C 16.0300 -12.5300
12 C1x C 18.4100 -12.5300
13 C8y C 14.7700 -14.7000
14 C8y C 20.8600 -16.6600
15 C8x C 19.6700 -18.7600
16 C8y C 14.7700 -13.3000
17 O2x O 13.5100 -15.1200
18 C8y C 22.1200 -17.3600
19 C8x C 20.9300 -19.4600
20 O2x O 13.4400 -12.8800
21 C1x C 12.6700 -14.0000
22 C8y C 22.1200 -18.7600
23 O2a O 23.3100 -16.6600
24 O2a O 23.3100 -19.4600
25 C1a C 24.5000 -17.3600
26 C1a C 24.5700 -18.7600
27 O1a O 16.0300 -16.7300
28 O1a O 17.2900 -17.4300
BOND 32
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 4 28 1 #Down
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» Japanese version
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