| Entry |
|
|---|
| Name |
Fumigaclavine B;
6,8-alpha-Dimethylergolin-9-beta-ol
|
|---|
| Formula |
C16H20N2O
|
|---|
| Exact mass |
256.1576
|
|---|
| Mol weight |
256.34
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00964 | Fumigaclavine biosynthesis, chanoclavine-I aldehyde => fumigaclavine C |
|
|---|
| Enzyme |
|
|---|
| Brite |
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C20437
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 17.4353 -17.8737
2 C8y C 17.4411 -16.5153
3 C8y C 18.6103 -18.5622
4 C8y C 16.1904 -18.5563
5 C1y C 18.6220 -15.8440
6 C8x C 16.2662 -15.8383
7 C1x C 19.7910 -17.8924
8 C8x C 18.6103 -19.8637
9 N4x N 16.1845 -19.8461
10 C8x C 15.0970 -17.8737
11 C1y C 19.7910 -16.5326
12 C1y C 18.6336 -14.4974
13 C8x C 15.0970 -16.5153
14 N1y N 20.9791 -15.8745
15 C1y C 19.8216 -13.8203
16 C1x C 20.9907 -14.5148
17 C1a C 22.1363 -16.5385
18 C1a C 19.8157 -12.4618
19 O1a O 17.3531 -13.8089
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 1
14 12 15 1
15 14 16 1
16 14 17 1
17 15 18 1 #Down
18 7 11 1
19 8 9 1
20 10 13 2
21 15 16 1
22 12 19 1 #Up
|
|---|
