Entry |
|
Name |
Ipomeamarone;
(+)-Ngaione
|
Formula |
C15H22O3
|
Exact mass |
250.1569
|
Mol weight |
250.3334
|
Structure |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010302 Furanoid farnesane sesquiterpenoids
C09689 Ipomoeamarone
Phytochemical compounds [BR:br08003]
Terpenoids
Sesquiterpenoids (C15)
Farnesenes
C09689 Ipomeamarone
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Other DBs |
|
LinkDB |
|
KCF data |
ATOM 18
1 C1y C 31.0201 -19.0118
2 C8y C 32.1345 -18.1758
3 O2x O 29.8919 -18.1880
4 C1x C 30.5866 -20.2737
5 C8x C 33.5320 -18.2257
6 C8x C 31.7530 -16.8295
7 C1z C 28.7606 -19.0033
8 C1x C 29.1873 -20.3349
9 C8x C 34.0075 -16.9162
10 O2x O 32.9105 -16.0473
11 C1b C 27.5503 -19.7050
12 C1a C 28.4154 -17.6415
13 C5a C 26.3401 -19.0094
14 C1b C 25.1240 -19.7167
15 O5a O 26.3401 -17.6004
16 C1c C 23.9139 -19.0152
17 C1a C 22.6980 -19.7227
18 C1a C 23.9081 -17.6064
BOND 19
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1 #Up
11 7 12 1 #Down
12 11 13 1
13 13 14 1
14 13 15 2
15 14 16 1
16 16 17 1
17 16 18 1
18 7 8 1
19 9 10 1
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