| Entry |
|
|---|
| Name |
(-)-Glyceollin I;
Glyceollin
|
|---|
| Formula |
C20H18O5
|
|---|
| Exact mass |
338.1154
|
|---|
| Mol weight |
338.3539
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1207 Pterocarpans
C01701 (-)-Glyceollin I
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Pterocarpans
C01701 (-)-Glyceollin I
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 25
1 C1z C 45.1500 -12.8100
2 C1y C 43.9600 -13.5100
3 C8y C 46.2000 -13.7200
4 C1x C 45.1500 -11.4100
5 O1a O 46.2700 -11.9700
6 C8y C 42.7700 -12.8100
7 O2x O 44.2400 -14.8400
8 C8y C 45.6400 -14.9800
9 C8x C 47.5300 -13.5800
10 O2x O 43.9600 -10.7100
11 C8y C 42.7700 -11.4100
12 C8x C 41.5800 -13.5100
13 C8x C 46.4100 -16.1000
14 C8x C 48.3700 -14.7000
15 C8y C 41.5800 -10.7100
16 C8x C 40.3900 -12.8100
17 C8y C 47.8100 -15.9600
18 C8y C 40.3900 -11.4100
19 O1a O 48.5800 -17.1500
20 C2x C 41.5800 -9.3100
21 C2x C 40.3200 -8.6100
22 C1z C 39.1300 -9.3100
23 O2x O 39.1300 -10.7100
24 C1a C 38.7800 -7.9800
25 C1a C 37.8000 -9.6600
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 2
8 3 9 1
9 4 10 1
10 6 11 2
11 6 12 1
12 8 13 1
13 9 14 2
14 11 15 1
15 12 16 2
16 13 17 2
17 15 18 2
18 17 19 1
19 7 8 1
20 10 11 1
21 14 17 1
22 16 18 1
23 15 20 1
24 20 21 2
25 21 22 1
26 22 23 1
27 18 23 1
28 22 24 1
29 22 25 1
|
|---|
