| Entry |
|
|---|
| Name |
6-Demethylsterigmatocystin
|
|---|
| Formula |
C17H10O6
|
|---|
| Exact mass |
310.0477
|
|---|
| Mol weight |
310.26
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00937 | Aflatoxin biosynthesis, malonyl-CoA => aflatoxin B1 |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK10 Aflatoxins and related substances
C03683 6-Demethylsterigmatocystin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8y C 23.8000 -16.1000
2 C8x C 23.8000 -17.5000
3 C8y C 24.9900 -18.2000
4 C8y C 26.1800 -17.5000
5 C8y C 26.1800 -16.1000
6 C8y C 24.9900 -15.4000
7 C8y C 27.3700 -18.2000
8 C8y C 28.6300 -17.5000
9 C8y C 28.6300 -16.1000
10 O2x O 27.3700 -15.4000
11 C8y C 29.8200 -18.2000
12 C8x C 31.0100 -17.5000
13 C8x C 31.0100 -16.1000
14 C8x C 29.8200 -15.4000
15 O5x O 27.3700 -19.6000
16 O1a O 29.8200 -19.6000
17 O1a O 24.9900 -19.6000
18 C1y C 24.7100 -14.0000
19 C1y C 23.2400 -14.0000
20 O2x O 22.7500 -15.1900
21 C2x C 25.2000 -12.7400
22 C2x C 24.0800 -11.7600
23 O2x O 22.8200 -12.6000
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 7 15 2
18 11 16 1
19 3 17 1
20 6 18 1
21 18 19 1
22 19 20 1
23 1 20 1
24 18 21 1
25 21 22 2
26 22 23 1
27 19 23 1
|
|---|
