Entry |
|
Name |
|
Formula |
C22H18NO6
|
Exact mass |
392.1134
|
Mol weight |
392.3814
|
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
C06165 Macarpine
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 29
1 C8y C 25.3425 -20.5131
2 C8y C 24.1327 -21.2094
3 C8y C 26.5592 -21.2355
4 C8x C 25.3662 -19.1204
5 C8y C 24.1766 -22.6045
6 C8y C 22.9183 -20.4893
7 C8y C 27.7690 -20.5510
8 N5y N 26.5474 -22.6401 #+
9 C8y C 26.5853 -18.4359
10 C8x C 25.3235 -23.3271
11 C8x C 21.6966 -21.1976
12 O2a O 22.8576 -19.0943
13 C8y C 27.7928 -19.1490
14 C8x C 28.9622 -21.2616
15 C1a C 27.7641 -23.3390
16 C1a C 21.7109 -18.3930
17 C8x C 29.0002 -18.4740
18 C8y C 30.1790 -20.5676
19 C8y C 30.2027 -19.1726
20 O2x O 31.4934 -21.0241
21 O2x O 31.5313 -18.7734
22 C1x C 32.3347 -19.9094
23 C8y C 22.8929 -23.3187
24 C8y C 21.6847 -22.6021
25 O2x O 20.6299 -23.5297
26 C1x C 21.1862 -24.8193
27 O2x O 22.5847 -24.6890
28 O2a O 26.6008 -17.0376
29 C1a C 25.3974 -16.3251
BOND 34
1 3 8 1
2 4 9 2
3 5 23 1
4 5 10 1
5 6 11 2
6 6 12 1
7 7 13 2
8 7 14 1
9 8 15 1
10 12 16 1
11 13 17 1
12 14 18 2
13 17 19 2
14 18 20 1
15 19 21 1
16 20 22 1
17 8 10 2
18 9 13 1
19 11 24 1
20 18 19 1
21 21 22 1
22 1 2 1
23 1 3 2
24 1 4 1
25 2 5 2
26 23 24 2
27 24 25 1
28 25 26 1
29 26 27 1
30 27 23 1
31 2 6 1
32 9 28 1
33 3 7 1
34 28 29 1
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