 | | COMPOUND: C22123 | |
| Entry |
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| Name |
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| Formula |
C29H46O
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| Exact mass |
410.3549
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| Mol weight |
410.6749
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| Structure |
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00917 | Phytosterol biosynthesis, squalene 2,3-epoxide => campesterol/sitosterol |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 30
1 C1x C 12.6554 -18.2490
2 C5x C 12.6554 -19.5775
3 C1x C 13.8441 -20.2767
4 C1x C 13.8441 -17.5498
5 C1z C 15.0327 -18.2490
6 C1y C 15.0327 -19.5775
7 C1x C 16.2213 -20.2767
8 C2x C 17.4100 -19.6474
9 C1y C 16.2213 -17.5498
10 C2y C 17.4100 -18.2490
11 C1x C 17.4100 -15.5221
12 C1x C 16.2213 -16.1514
13 C1z C 18.5986 -16.2213
14 C1y C 18.6685 -17.5498
15 C1x C 20.9759 -17.5498
16 C1x C 20.9759 -16.2213
17 C1y C 19.7872 -15.5221
18 C1c C 19.7872 -14.1937
19 C1b C 20.9759 -13.4945
20 C1b C 22.1645 -14.1937
21 C2c C 23.3531 -13.4945
22 C1c C 24.5418 -14.1237
23 C1a C 25.7304 -13.4945
24 C1a C 24.5418 -15.5221
25 C2b C 23.3531 -12.0961
26 C1a C 24.5418 -11.3969
27 O5x O 11.4668 -20.2767
28 C1a C 15.0327 -16.8506
29 C1a C 18.5986 -14.8229
30 C1a C 18.5986 -13.4945
BOND 33
1 6 7 1
2 7 8 1
3 13 14 1
4 15 16 1
5 16 17 1
6 17 13 1
7 14 15 1
8 8 10 2
9 17 18 1
10 9 5 1
11 18 19 1
12 5 4 1
13 19 20 1
14 4 1 1
15 20 21 1
16 21 22 1
17 1 2 1
18 22 23 1
19 9 10 1
20 22 24 1
21 10 14 1
22 21 25 2
23 13 11 1
24 25 26 1
25 11 12 1
26 12 9 1
27 2 27 2 #Up
28 2 3 1
29 5 28 1 #Up
30 3 6 1
31 13 29 1 #Up
32 5 6 1
33 18 30 1 #Down
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