| Entry |
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| Name |
Verbenalin;
Cornin (glycoside)
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| Formula |
C17H24O10
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| Exact mass |
388.1369
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| Mol weight |
388.3665
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| Structure |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C09802 Verbenalin
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Iridoids
C09802 Verbenalin
Glycosides [BR:br08021]
O-glycosides
Iridoid glycosides
C09802 Verbenalin
C09802 Verbenalin
|
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| Other DBs |
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| KCF data |
ATOM 27
1 O2a O 26.5300 -16.1491
2 C1y C 25.2247 -17.1304
3 O2x O 24.0222 -16.4300
4 C1y C 25.2230 -18.5236
5 C1y C 22.8230 -17.1260
6 C1y C 24.0137 -19.2136
7 O1a O 26.4176 -19.2259
8 C1y C 22.8112 -18.5135
9 C1b C 21.6134 -16.4258
10 O1a O 24.0069 -20.6039
11 O1a O 21.6049 -19.2093
12 O1a O 20.4154 -17.1137
13 C1y C 25.3141 -13.9052
14 C1y C 25.3200 -12.5122
15 C1y C 26.5087 -14.6049
16 C1y C 24.0025 -14.3247
17 C2y C 26.5320 -11.8300
18 C5x C 24.0084 -12.0869
19 O2x O 27.7222 -13.9228
20 C1x C 23.1805 -13.1999
21 C1a C 22.9018 -15.0969
22 C2x C 27.7339 -12.5355
23 C7a C 26.5437 -10.4427
24 O5x O 23.0228 -11.0956
25 O7a O 27.7456 -9.7489
26 O6a O 25.3432 -9.7489
27 C1a C 28.9402 -10.4427
BOND 29
1 4 6 1
2 4 7 1 #Down
3 5 8 1
4 5 9 1 #Up
5 6 10 1 #Up
6 8 11 1 #Down
7 6 8 1
8 9 12 1
9 2 1 1 #Up
10 2 3 1
11 2 4 1
12 3 5 1
13 13 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 15 19 1
19 16 20 1
20 16 21 1 #Up
21 17 22 2
22 17 23 1
23 18 24 2
24 23 25 1
25 23 26 2
26 25 27 1
27 18 20 1
28 19 22 1
29 15 1 1 #Up
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