Entry |
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Name |
11-Hydroxyiridodial glucoside pentaacetate
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Formula |
C26H36O13
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Exact mass |
556.2156
|
Mol weight |
556.5562
|
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
C11666 11-Hydroxyiridodial glucoside pentaacetate
Glycosides [BR:br08021]
O-glycosides
Iridoid glycosides
C11666 11-Hydroxyiridodial glucoside pentaacetate
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Other DBs |
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LinkDB |
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KCF data |
ATOM 39
1 C7a C 23.5655 -18.2682
2 O7a O 24.7977 -18.9726
3 O6a O 23.5655 -16.8521
4 C1a C 22.3368 -18.9733
5 O2a O 30.8619 -18.1311
6 C1y C 29.6441 -19.0130
7 O2x O 28.4394 -18.3010
8 C1y C 29.6361 -20.4155
9 C1y C 27.2223 -18.9992
10 C1y C 28.4239 -21.1056
11 O7a O 30.8646 -21.1226
12 C1y C 27.2147 -20.4016
13 C1b C 26.0131 -18.2949
14 O7a O 28.4212 -22.5109
15 O7a O 25.9976 -21.0996
16 C7a C 32.0969 -21.8176
17 O6a O 32.0989 -23.2302
18 C1a C 33.3147 -21.1125
19 C7a C 28.4252 -23.9181
20 O6a O 27.2041 -24.6134
21 C1a C 29.6356 -24.6200
22 C7a C 24.7637 -21.7949
23 O6a O 23.5571 -21.0873
24 C1a C 24.7539 -23.1991
25 C1y C 30.8499 -16.6126
26 C1y C 29.6693 -15.9102
27 C1y C 29.6693 -14.5287
28 C1y C 28.3532 -16.3279
29 C2y C 30.8499 -13.8498
30 C1x C 28.3591 -14.1158
31 O2x O 32.0482 -15.9102
32 C1x C 27.5492 -15.2137
33 C1a C 27.3155 -17.3529
34 C2x C 32.0482 -14.5287
35 C1b C 30.8441 -12.4802
36 O7a O 32.0306 -11.8079
37 C7a C 33.2273 -12.5059
38 C1a C 34.4327 -11.8229
39 O6a O 33.2187 -13.8938
BOND 41
1 9 12 1
2 9 13 1 #Up
3 22 15 1
4 22 23 2
5 10 14 1 #Up
6 22 24 1
7 12 15 1 #Down
8 25 5 1 #Up
9 10 12 1
10 13 2 1
11 6 5 1 #Up
12 6 7 1
13 6 8 1
14 7 9 1
15 1 4 1
16 1 2 1
17 16 11 1
18 16 17 2
19 1 3 2
20 16 18 1
21 26 27 1
22 26 25 1
23 26 28 1
24 27 29 1
25 27 30 1
26 25 31 1
27 28 32 1
28 28 33 1 #Up
29 29 34 2
30 29 35 1
31 35 36 1
32 30 32 1
33 31 34 1
34 8 10 1
35 19 14 1
36 19 20 2
37 36 37 1
38 8 11 1 #Down
39 37 38 1
40 19 21 1
41 37 39 2
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