| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C22H27NO5
|
|---|
| Exact mass |
385.1889
|
|---|
| Mol weight |
385.45
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
2.1.1.-
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C16709 O-Methylandrocymbine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1z C 24.5703 -15.7928
2 C8y C 23.5180 -14.9621
3 C2y C 25.8799 -15.4995
4 C2x C 24.1705 -17.0778
5 C1x C 24.8745 -14.4881
6 C8y C 23.5185 -13.6156
7 C8y C 22.3461 -15.6319
8 C1y C 26.4622 -14.2825
9 C2x C 26.7975 -16.4890
10 C2y C 25.0804 -18.0695
11 C1x C 27.4169 -12.9588
12 C8x C 22.3523 -12.9417
13 C1x C 24.5725 -12.7736
14 C8y C 21.1851 -14.9608
15 O2a O 22.3375 -16.9806
16 C1x C 25.8879 -13.0704
17 N1y N 27.7995 -14.2513
18 C5x C 26.3927 -17.7711
19 O2a O 24.4347 -19.2446
20 C8y C 21.1857 -13.6142
21 O2a O 20.0302 -15.6599
22 C1a C 21.1737 -17.6481
23 C1a C 28.7693 -15.1830
24 O5x O 27.3647 -18.7107
25 C1a C 23.1241 -19.6240
26 O2a O 19.9996 -12.9760
27 C1a C 18.8579 -13.6757
28 C1a C 18.6779 -15.2976
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 2
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 2
14 7 15 1
15 8 16 1
16 8 17 1 #Down
17 9 18 1
18 10 19 1
19 12 20 2
20 14 21 1
21 15 22 1
22 17 23 1
23 18 24 2
24 19 25 1
25 20 26 1
26 26 27 1
27 10 18 1
28 11 17 1
29 13 16 1
30 14 20 1
31 21 28 1
|
|---|
