| Entry |
|
|---|
| Name |
Zingerone;
Zingiberone;
Vanillylacetone;
[0]-Paradol
|
|---|
| Formula |
C11H14O3
|
|---|
| Exact mass |
194.0943
|
|---|
| Mol weight |
194.2271
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK15 Phenolic lipids
PK1502 Alkyl catechols and derivatives
C17497 Zingerone
Phytochemical compounds [BR:br08003]
Shikimate / acetate-malonate pathway derived compounds
Others
Zingiber derived compounds
C17497 Zingerone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 14
1 C8y C 31.9200 -23.9400
2 C8x C 30.7300 -23.2400
3 C8x C 31.9200 -25.3400
4 C1b C 33.1100 -23.2400
5 C8y C 29.4700 -23.9400
6 C8x C 30.7300 -26.0400
7 C1b C 34.3000 -23.9400
8 C8y C 29.4700 -25.3400
9 O2a O 28.2800 -23.2400
10 C5a C 35.5600 -23.2400
11 O1a O 28.2800 -26.0400
12 C1a C 27.0200 -23.9400
13 C1a C 36.7500 -23.9400
14 O5a O 35.5600 -21.8400
BOND 14
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 7 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 10 14 2
14 6 8 2
|
|---|
