Entry |
|
Name |
alpha-Irone;
(+)-cis-alpha-Irone
|
Formula |
C14H22O
|
Exact mass |
206.1671
|
Mol weight |
206.3239
|
Structure |
|
Comment |
(+)-trans-alpha-Irone [CPD: C11350]
|
Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Sesquiterpenoids (C15)
Others
C09690 alpha-Irone
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 15
1 C1y C 26.0830 -17.7304
2 C1z C 24.8706 -17.0253
3 C2y C 26.0830 -19.1292
4 C1y C 23.6525 -17.7304
5 C1a C 25.5526 -15.8071
6 C1a C 24.1538 -15.8071
7 C2x C 24.8706 -19.8286
8 C1a C 27.2952 -19.8286
9 C1x C 23.6525 -19.1292
10 C1a C 22.4445 -17.0339
11 C2b C 27.2835 -17.0253
12 C2b C 28.4959 -17.7187
13 C5a C 29.7023 -17.0193
14 C1a C 29.6964 -15.6148
15 O5a O 30.9145 -17.7130
BOND 15
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 7 9 1
10 4 10 1 #Up
11 1 11 1 #Up
12 11 12 2
13 12 13 1
14 13 14 1
15 13 15 2
|