 | | COMPOUND: C08988 | |
| Entry |
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| Name |
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| Formula |
C30H48O3
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| Exact mass |
456.3603
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| Mol weight |
456.70
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| Structure |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010618 Taraxastane, ursane and bauerane triterpenoids
C08988 Ursolic acid
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Ursanes
C08988 Ursolic acid
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| Other DBs |
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| KCF data |
ATOM 33
1 C1z C 26.3577 -18.0429
2 C1y C 25.2252 -17.3307
3 C1x C 26.4101 -19.4321
4 C1x C 27.6417 -17.3658
5 C6a C 27.6301 -18.7433
6 C2y C 24.0111 -18.0080
7 C1y C 25.1785 -15.9358
8 C1x C 25.1961 -20.1209
9 C1x C 27.6651 -15.9708
10 O6a O 27.6301 -20.1442
11 O6a O 28.8500 -18.0371
12 C1z C 23.9935 -19.4030
13 C2x C 22.8029 -17.3016
14 C1y C 26.4627 -15.2529
15 C1a C 24.0403 -15.2119
16 C1z C 22.7795 -20.1035
17 C1a C 23.9761 -20.8039
18 C1x C 21.5829 -17.9904
19 C1a C 26.4861 -13.8461
20 C1y C 21.5712 -19.3913
21 C1x C 22.7795 -21.5044
22 C1a C 23.3978 -18.6909
23 C1z C 20.3513 -20.0918
24 C1x C 21.5595 -22.1989
25 C1y C 20.3455 -21.4927
26 C1x C 19.1489 -19.3854
27 C1a C 20.3396 -18.6851
28 C1z C 19.1489 -22.1931
29 C1x C 17.9290 -20.0918
30 C1y C 17.9290 -21.4927
31 C1a C 18.4836 -23.7573
32 C1a C 19.7791 -23.6873
33 O1a O 16.7090 -22.1931
BOND 37
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 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 6 13 2
13 7 14 1
14 7 15 1 #Up
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 14 19 1 #Down
19 16 20 1
20 16 21 1
21 16 22 1 #Up
22 20 23 1
23 21 24 1
24 23 25 1
25 23 26 1
26 23 27 1 #Up
27 25 28 1
28 26 29 1
29 28 30 1
30 28 31 1
31 28 32 1
32 30 33 1 #Up
33 8 12 1
34 9 14 1
35 18 20 1
36 24 25 1
37 29 30 1
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» Japanese version
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