Entry |
|
Name |
|
Formula |
C25H33NO11
|
Exact mass |
523.2054
|
Mol weight |
523.5296
|
Structure |
|
Reaction |
|
Pathway |
map00950 | Isoquinoline alkaloid biosynthesis |
map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C07304 Deacetylisoipecoside
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 37
1 C1y C 26.0786 -15.2383
2 C8y C 24.8853 -14.5336
3 N1x N 27.2836 -14.5453
4 C8y C 24.8913 -13.1479
5 C8x C 23.6979 -15.2324
6 C1x C 27.2895 -13.1595
7 C1x C 26.0902 -12.4606
8 C8x C 23.6979 -12.4549
9 C8y C 22.4859 -14.5336
10 C8y C 22.4859 -13.1479
11 O1a O 21.2809 -15.2266
12 O1a O 21.2809 -12.4549
13 C1y C 27.2758 -19.6635
14 C1y C 27.2758 -18.3067
15 C1y C 28.4470 -20.3504
16 C2b C 26.1117 -20.3330
17 C2y C 28.4470 -17.6315
18 C1b C 26.0835 -17.6174
19 O2a O 29.4127 -21.9041
20 O2x O 29.6228 -19.6635
21 C2a C 24.9533 -19.6518
22 C2x C 29.6228 -18.3067
23 C7a C 28.4413 -16.2853
24 C1y C 27.6957 -22.7372
25 O7a O 29.6052 -15.6097
26 O6a O 27.2642 -15.6157
27 O2x O 26.5246 -22.0616
28 C1y C 27.6957 -24.0762
29 C1a C 30.7636 -16.2853
30 C1y C 25.3603 -22.7372
31 C1y C 26.5246 -24.7576
32 O1a O 28.8657 -24.7576
33 C1y C 25.3603 -24.0762
34 C1b C 24.2081 -22.0616
35 O1a O 26.5246 -26.0966
36 O1a O 24.2081 -24.7576
37 O1a O 23.1708 -22.9297
BOND 40
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 8 10 2
10 9 11 1
11 10 12 1
12 6 7 1
13 9 10 1
14 13 14 1
15 13 15 1
16 13 16 1
17 14 17 1
18 14 18 1
19 15 19 1 #Up
20 15 20 1
21 16 21 2
22 17 22 2
23 17 23 1
24 24 19 1 #Up
25 23 25 1
26 23 26 2
27 24 27 1
28 24 28 1
29 25 29 1
30 27 30 1
31 28 31 1
32 28 32 1 #Down
33 30 33 1
34 30 34 1 #Up
35 31 35 1 #Up
36 33 36 1 #Down
37 34 37 1
38 20 22 1
39 31 33 1
40 18 1 1
|