| Entry |
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| Name |
Tomatidine;
(3beta,5alpha,22beta,25S)-Spirosolan-3-ol
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| Formula |
C27H45NO2
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| Exact mass |
415.3450
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| Mol weight |
415.65
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| Structure |
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| Reaction |
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| Pathway |
| map00996 | Biosynthesis of various alkaloids |
| map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0115 Solanidines and alkaloid derivatives
C10826 Tomatidine
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived by amination reactions
Steroid alkaloids
C10826 Tomatidine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 C1x C 30.0246 -16.8941
2 C1z C 30.0246 -18.2485
3 N1x N 31.2018 -18.9256
4 C1x C 32.3718 -18.2485
5 C1y C 32.3718 -16.8941
6 C1x C 31.2018 -16.2170
7 C1y C 27.7307 -19.5904
8 C1y C 28.8864 -20.2617
9 C1y C 27.7364 -18.2525
10 C1x C 28.9214 -21.5927
11 O2x O 30.0192 -19.5962
12 C1a C 26.7838 -17.3124
13 C1y C 26.5561 -21.5569
14 C1z C 26.5561 -20.2378
15 C1x C 25.3992 -19.5060
16 C1y C 25.3758 -22.2199
17 C1x C 24.2131 -20.1677
18 C1y C 24.2014 -21.5278
19 C1x C 25.3758 -23.5798
20 C1z C 23.0286 -22.2082
21 C1x C 24.1897 -24.2534
22 C1y C 23.0226 -23.5683
23 C1x C 21.8483 -21.5219
24 C1a C 23.0169 -20.8485
25 C1x C 21.8483 -24.2546
26 C1x C 20.6680 -22.2082
27 C1y C 20.6680 -23.5683
28 O1a O 19.4821 -24.2546
29 C1a C 26.5612 -18.8339
30 C1a C 33.5467 -16.2178
BOND 35
1 5 6 1
2 6 1 1
3 14 7 1
4 7 8 1
5 7 9 1
6 13 10 1
7 8 11 1
8 9 2 1
9 9 12 1 #Down
10 8 10 1
11 11 2 1
12 2 1 1 #Down
13 2 3 1 #Up
14 3 4 1
15 15 17 1
16 16 18 1
17 16 19 1
18 18 20 1
19 19 21 1
20 20 22 1
21 20 23 1
22 20 24 1 #Up
23 22 25 1
24 23 26 1
25 25 27 1
26 27 28 1 #Up
27 17 18 1
28 21 22 1
29 26 27 1
30 14 29 1 #Up
31 14 13 1
32 14 15 1
33 13 16 1
34 4 5 1
35 5 30 1 #Down
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