| Entry |
|
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| Name |
|
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| Formula |
C45H73NO15
|
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| Exact mass |
867.498
|
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| Mol weight |
868.0588
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| Structure |
|
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| Reaction |
R12849
|
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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
C10820 Solanine
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived by amination reactions
Steroid alkaloids
C10820 Solanine
Natural toxins [BR:br08009]
Phytotoxins
Alkaloids
Steroid alkaloids
C10820 Solanine
Glycosides [BR:br08021]
O-glycosides
Glycoalkaloid
C10820 Solanine
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C10820
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| Other DBs |
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| KCF data |
ATOM 61
1 O2x O 18.6352 -25.5773
2 C1y C 18.6352 -27.0033
3 C1y C 19.8768 -27.7163
4 C1y C 21.1043 -27.0033
5 C1y C 21.1043 -25.5773
6 C1y C 19.8768 -24.8643
7 O2a O 19.9139 -23.4806
8 C1b C 17.4038 -27.7170
9 O1a O 16.1648 -27.0045
10 O1a O 19.8786 -29.1424
11 O1a O 22.3436 -27.7155
12 O1a O 22.3436 -24.8652
13 C1y C 23.7109 -18.3342
14 C1x C 23.7109 -16.9506
15 C1x C 24.9173 -19.0261
16 C1x C 24.9173 -16.2587
17 C1z C 26.1095 -16.9506
18 C2y C 26.1036 -18.3342
19 C2x C 27.3040 -19.0312
20 C1x C 28.4964 -18.3445
21 C1y C 27.3160 -16.2638
22 C1y C 28.4964 -16.9639
23 C1x C 28.5263 -14.2108
24 C1x C 27.3274 -14.8839
25 C1z C 29.6509 -14.9107
26 C1y C 29.7118 -16.2960
27 C1x C 31.0257 -16.7300
28 C1y C 31.0402 -14.4870
29 C1y C 31.8435 -15.6186
30 C1y C 31.8564 -13.3648
31 C1y C 33.1727 -13.7986
32 N1y N 33.1635 -15.1926
33 C1x C 34.3653 -15.8942
34 C1y C 35.5692 -15.2015
35 C1x C 35.5784 -13.8145
36 C1x C 34.3836 -13.1129
37 C1a C 26.0972 -15.5669
38 C1a C 29.7114 -13.5267
39 C1a C 31.4906 -12.0230
40 C1a C 36.7641 -15.8987
41 O2a O 22.4172 -19.1344
42 C1y C 23.5698 -22.7958
43 C1y C 24.7851 -22.1006
44 O2x O 23.5639 -24.2051
45 C1y C 26.0028 -22.8063
46 O1a O 24.7983 -20.6925
47 C1y C 24.7753 -24.9112
48 C1y C 25.9916 -24.2184
49 O1a O 27.2210 -22.1163
50 C1a C 24.7649 -26.3365
51 O1a O 27.2054 -24.9167
52 C1y C 21.1271 -19.9861
53 C1y C 21.1251 -21.3803
54 O2x O 19.9113 -19.2810
55 C1y C 19.9157 -22.0889
56 O2a O 22.3482 -22.0855
57 C1y C 18.7013 -19.9785
58 C1y C 18.6928 -21.3837
59 C1b C 17.4819 -19.2793
60 O1a O 17.4824 -17.8761
61 O1a O 17.4587 -22.0925
BOND 69
1 20 22 1
2 21 17 1
3 21 22 1
4 22 26 1
5 25 23 1
6 23 24 1
7 24 21 1
8 25 26 1
9 26 27 1
10 27 29 1
11 28 25 1
12 28 29 1
13 29 32 1
14 31 30 1
15 30 28 1
16 31 32 1
17 32 33 1
18 33 34 1
19 34 35 1
20 35 36 1
21 36 31 1
22 17 37 1 #Up
23 25 38 1 #Up
24 30 39 1 #Down
25 34 40 1 #Down
26 3 10 1 #Down
27 13 41 1 #Up
28 4 5 1
29 4 11 1 #Up
30 5 6 1
31 5 12 1 #Down
32 6 1 1
33 6 7 1 #Up
34 1 2 1
35 2 8 1 #Up
36 2 3 1
37 8 9 1
38 3 4 1
39 14 13 1
40 13 15 1
41 15 18 1
42 17 16 1
43 16 14 1
44 17 18 1
45 18 19 2
46 43 46 1 #Down
47 44 47 1
48 45 48 1
49 45 49 1 #Down
50 47 50 1 #Down
51 48 51 1 #Up
52 47 48 1
53 52 53 1
54 52 54 1
55 53 55 1
56 53 56 1 #Down
57 54 57 1
58 55 58 1
59 55 7 1 #Up
60 57 59 1 #Up
61 59 60 1
62 57 58 1
63 42 43 1
64 42 44 1
65 43 45 1
66 52 41 1 #Up
67 42 56 1 #Up
68 19 20 1
69 58 61 1 #Up
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