| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C12H18O3
|
|---|
| Exact mass |
210.1256
|
|---|
| Mol weight |
210.2695
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00592 | alpha-Linolenic acid metabolism |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00113 | Jasmonic acid biosynthesis |
|
|---|
| Enzyme |
3.2.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA02 Octadecanoids
FA0202 Jasmonic acids
C16317 (+)-7-Isojasmonic acid
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 15
1 C1y C 31.9265 -24.1182
2 C1y C 31.9206 -25.5064
3 C5x C 30.6083 -23.6982
4 C1b C 33.3322 -22.8758
5 C1x C 30.6257 -25.9322
6 C1b C 33.1163 -26.1888
7 C1x C 29.8033 -24.8239
8 O5x O 30.1592 -22.3509
9 C2b C 34.5221 -23.5757
10 C6a C 34.3063 -25.5064
11 C2b C 35.8870 -23.5757
12 O6a O 35.4961 -26.1888
13 C1b C 37.0711 -22.8758
14 C1a C 38.2492 -23.5583
15 O6a O 34.2994 -24.3041
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 4 9 1
9 6 10 1
10 9 11 2
11 10 12 1
12 11 13 1
13 13 14 1
14 5 7 1
15 10 15 2
|
|---|
