| Entry |
|
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| Name |
Lupan-3beta,20-diol;
3beta,20-Dihydroxylupane;
Monogynol A
|
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| Formula |
C30H52O2
|
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| Exact mass |
444.3967
|
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| Mol weight |
444.73
|
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| Structure |
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| Reaction |
|
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| Pathway |
| map00909 | Sesquiterpenoid and triterpenoid biosynthesis |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010614 Lupane triterpenoids
C19863 Lupan-3beta,20-diol
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Lupanes
C19863 Lupan-3beta,20-diol
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C1z C 16.9280 -15.1069
2 C1y C 16.9458 -13.7234
3 C1z C 15.7330 -15.7897
4 C1x C 18.1172 -15.8074
5 C1a C 16.9162 -16.4903
6 C1y C 18.1526 -13.0523
7 C1x C 15.7566 -13.0230
8 C1y C 14.5438 -15.0892
9 C1x C 15.7330 -17.1732
10 C1a C 15.0863 -14.3946
11 C1x C 19.3180 -15.1305
12 C1z C 19.3534 -13.7529
13 C1x C 14.5497 -13.6998
14 C1z C 13.2671 -15.7781
15 C1x C 14.5322 -17.8677
16 C1a C 20.5308 -14.4476
17 C1y C 13.3312 -17.1613
18 C1x C 12.1421 -15.0892
19 C1a C 13.3253 -14.3887
20 C1z C 12.1421 -17.8621
21 C1x C 10.9352 -15.7781
22 C1y C 10.9352 -17.1613
23 C1a C 12.9600 -19.3389
24 C1a C 11.4297 -19.3405
25 O1a O 9.7285 -17.8560
26 C1x C 20.3908 -12.8275
27 C1x C 19.8312 -11.5548
28 C1y C 18.4480 -11.6938
29 C1d C 17.4981 -10.6287
30 C1a C 16.1014 -10.9185
31 C1a C 17.9364 -9.3015
32 O1a O 16.5081 -9.6388
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 12 16 1 #Up
16 14 17 1
17 14 18 1
18 14 19 1 #Up
19 17 20 1
20 18 21 1
21 20 22 1
22 20 23 1
23 20 24 1
24 22 25 1 #Up
25 8 13 1
26 11 12 1
27 15 17 1
28 21 22 1
29 12 26 1
30 26 27 1
31 27 28 1
32 6 28 1
33 28 29 1 #Down
34 29 30 1
35 29 31 1
36 29 32 1
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