| Entry |
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| Name |
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| Formula |
C22H25NO6
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| Exact mass |
399.1682
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| Mol weight |
399.44
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| Structure |
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| Reaction |
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| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C16710 N-Formyldemecolcine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 C2y C 24.4349 -15.0463
2 C8y C 23.3612 -14.1988
3 C2y C 25.7711 -14.7471
4 C8y C 23.3617 -12.8249
5 C8y C 22.1655 -14.8821
6 C1y C 26.3652 -13.5054
7 C8x C 22.1718 -12.1373
8 C1x C 24.4371 -11.9658
9 C8y C 20.9810 -14.1974
10 O2a O 22.1567 -16.2582
11 C1x C 25.7792 -12.2687
12 N1c N 27.7296 -13.4735
13 C8y C 20.9816 -12.8235
14 O2a O 19.8026 -14.9107
15 C1a C 20.9693 -16.9393
16 C1a C 28.7191 -14.4241
17 O2a O 19.7714 -12.1723
18 C1a C 18.6065 -12.8862
19 C1a C 18.4229 -14.5411
20 C2x C 23.7207 -16.2834
21 C2x C 24.4349 -17.5204
22 C2y C 25.8146 -17.8902
23 C5x C 27.0516 -17.1760
24 C2x C 27.0516 -15.7476
25 O5x O 28.2938 -17.8934
26 O2a O 25.9962 -19.2731
27 C1a C 27.3290 -19.8256
28 C4a C 28.0993 -12.0938
29 O4a O 27.3851 -10.8568
BOND 31
1 1 2 1
2 1 3 1
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 1 #Down
12 7 13 2
13 9 14 1
14 10 15 1
15 12 16 1
16 13 17 1
17 17 18 1
18 8 11 1
19 9 13 1
20 14 19 1
21 1 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 1
26 24 3 2
27 23 25 2
28 22 26 1
29 26 27 1
30 12 28 1
31 28 29 2
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