| Entry |
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| Name |
1,2-Dihydrosantonin;
1,2-Dihydro-alpha-santonin
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| Formula |
C15H20O3
|
|---|
| Exact mass |
248.1412
|
|---|
| Mol weight |
248.3175
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010319 Eudesmane sesquiterpenoids
C02771 1,2-Dihydrosantonin
Phytochemical compounds [BR:br08003]
Terpenoids
Sesquiterpenoids (C15)
Eudesmanes
C02771 1,2-Dihydrosantonin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 18
1 C1y C 27.0045 -16.6923
2 C2y C 25.8399 -16.0251
3 C1y C 28.1688 -16.0251
4 C1z C 25.8399 -14.6907
5 C2y C 24.6815 -16.6984
6 C1x C 28.1569 -14.6785
7 C1x C 26.9923 -14.0114
8 C1x C 24.6815 -14.0295
9 C1a C 25.8218 -13.2299
10 C5x C 23.5349 -16.0251
11 C1a C 24.6753 -18.0840
12 C1x C 23.5349 -14.6907
13 O5x O 22.3946 -16.6742
14 O7x O 27.2792 -18.0058
15 C7x C 28.6133 -18.1504
16 C1y C 29.1631 -16.9263
17 C1a C 30.5563 -16.6345
18 O6a O 29.3048 -19.3567
BOND 20
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 7 1
7 4 8 1
8 4 9 1 #Up
9 5 10 1
10 5 11 1
11 8 12 1
12 10 13 2
13 6 7 1
14 10 12 1
15 1 14 1
16 14 15 1
17 15 16 1
18 3 16 1
19 16 17 1 #Down
20 15 18 2
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