| Entry |
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| Name |
Hecogenin;
(3beta,5alpha,25R)-3-hydroxyspirostan-12-one
|
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| Formula |
C27H42O4
|
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| Exact mass |
430.3083
|
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| Mol weight |
430.62
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| Structure |
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| Pathway |
| map01060 | Biosynthesis of plant secondary metabolites |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0108 Spirostanols and derivatives
C08902 Hecogenin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Spirostan
C08902 Hecogenin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 31
1 C1z C 26.6819 -17.3832
2 C1y C 27.8494 -16.7236
3 C1y C 26.6643 -18.7202
4 C5x C 25.5199 -16.7002
5 C1a C 26.6759 -16.3087
6 C1y C 29.0171 -17.4065
7 C1y C 27.8553 -15.3749
8 C1y C 25.5025 -19.3857
9 C1x C 29.0578 -18.6793
10 C1x C 24.3465 -17.3657
11 O5x O 25.5258 -15.3515
12 O2x O 30.1789 -16.7293
13 C1z C 30.1789 -15.3808
14 C1a C 26.8977 -14.0674
15 C1y C 24.3348 -18.7085
16 C1x C 25.5025 -20.7343
17 C1x C 31.3407 -16.0521
18 O2x O 30.1789 -14.0263
19 C1z C 23.1672 -19.3798
20 C1x C 24.3231 -21.3998
21 C1x C 32.5082 -15.3808
22 C1x C 31.3464 -13.3608
23 C1y C 23.1613 -20.7285
24 C1x C 22.0054 -18.7026
25 C1a C 23.1555 -18.0254
26 C1y C 32.5082 -14.0321
27 C1x C 22.0054 -21.3941
28 C1x C 20.8320 -19.3798
29 C1a C 33.6759 -13.3608
30 C1y C 20.8320 -20.7285
31 O1a O 19.6643 -21.3998
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 2
11 6 12 1
12 7 13 1
13 7 14 1 #Down
14 8 15 1
15 8 16 1
16 13 17 1
17 13 18 1 #Down
18 15 19 1
19 16 20 1
20 17 21 1
21 18 22 1
22 19 23 1
23 19 24 1
24 19 25 1 #Up
25 21 26 1
26 23 27 1
27 24 28 1
28 26 29 1 #Down
29 27 30 1
30 30 31 1 #Up
31 6 9 1
32 10 15 1
33 12 13 1
34 20 23 1
35 22 26 1
36 28 30 1
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