| Entry |
|
|---|
| Name |
Didrovaltratum;
Didrovaltrate
|
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| Formula |
C22H32O8
|
|---|
| Exact mass |
424.2097
|
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| Mol weight |
424.4847
|
|---|
| 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
C09776 Didrovaltratum
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Iridoids
C09776 Didrovaltratum
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 C1z C 22.6929 -16.7347
2 C1y C 24.0179 -16.3028
3 C1y C 21.8759 -15.6083
4 C1x C 22.6929 -18.1355
5 O2x O 21.4731 -17.4351
6 C1y C 24.0179 -14.9079
7 C1y C 25.2318 -17.0091
8 C1x C 22.6872 -14.4819
9 C2y C 25.2318 -14.2016
10 O2x O 26.4459 -16.3144
11 O7a O 25.2377 -18.4156
12 C2x C 26.4459 -14.9079
13 C1b C 25.1677 -12.8010
14 C7a C 26.4459 -19.1043
15 O7a O 26.4459 -12.1064
16 C1b C 27.6598 -18.3982
17 O6a O 26.4517 -20.5051
18 C7a C 27.6598 -12.8067
19 C1c C 28.8739 -19.0986
20 C1b C 28.8739 -12.1180
21 O6a O 27.6598 -14.2075
22 C1a C 28.8097 -20.4992
23 C1a C 30.0878 -18.3865
24 C1c C 30.0878 -12.8127
25 C1a C 30.0878 -14.2192
26 C1a C 31.2960 -12.1180
27 O7a O 20.4796 -15.6107
28 C7a C 19.7794 -14.4025
29 C1a C 18.3830 -14.4049
30 O6a O 20.4755 -13.1920
BOND 32
1 1 5 1 #Down
2 2 6 1
3 2 7 1
4 3 8 1
5 6 9 1
6 7 10 1
7 7 11 1 #Up
8 9 12 2
9 9 13 1
10 11 14 1
11 13 15 1
12 14 16 1
13 14 17 2
14 15 18 1
15 16 19 1
16 18 20 1
17 18 21 2
18 19 22 1
19 19 23 1
20 20 24 1
21 24 25 1
22 24 26 1
23 4 5 1
24 6 8 1
25 10 12 1
26 3 27 1 #Up
27 1 2 1
28 27 28 1
29 1 3 1
30 28 29 1
31 1 4 1 #Up
32 28 30 2
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