| Entry |
|
|---|
| Name |
Crataegolic acid;
Masilinic acid
|
|---|
| Formula |
C30H48O4
|
|---|
| Exact mass |
472.3553
|
|---|
| Mol weight |
472.6997
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010618 Taraxastane, ursane and bauerane triterpenoids
C16939 Crataegolic acid
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Ursanes
C16939 Crataegolic acid
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 34
1 C1y C 21.9399 -20.2515
2 C1y C 21.9399 -21.6595
3 C1z C 23.1592 -22.3635
4 C1y C 24.3787 -21.6595
5 C1z C 24.3787 -20.2515
6 C1x C 23.1592 -19.5475
7 C1x C 25.5980 -22.3635
8 C1x C 26.8173 -21.6595
9 C1z C 26.8173 -20.2515
10 C1y C 25.5980 -19.5475
11 C1z C 28.0368 -19.5475
12 C2y C 28.0368 -18.1395
13 C2x C 26.8173 -17.4355
14 C1x C 25.5980 -18.1395
15 C1x C 29.2561 -20.2515
16 C1x C 30.4754 -19.5475
17 C1z C 30.4754 -18.1395
18 C1y C 29.2561 -17.4355
19 C1x C 31.6949 -17.4355
20 C1x C 31.6949 -16.0275
21 C1z C 30.4754 -15.3235
22 C1x C 29.2561 -16.0275
23 C1a C 22.3737 -23.7091
24 C1a C 24.0849 -23.7091
25 O1a O 20.7206 -22.3635
26 O1a O 20.7206 -19.5475
27 C1a C 24.3787 -18.8435
28 C1a C 26.8173 -19.3335
29 C1a C 28.0368 -20.9555
30 C6a C 31.6948 -18.8435
31 O6a O 33.0549 -18.4791
32 O6a O 31.6948 -20.2515
33 C1a C 29.7714 -14.1041
34 C1a C 31.1794 -14.1041
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 3 23 1
28 3 24 1
29 2 25 1 #Up
30 1 26 1 #Down
31 5 27 1 #Up
32 9 28 1 #Up
33 11 29 1 #Down
34 17 30 1 #Up
35 30 31 1
36 30 32 2
37 21 33 1
38 21 34 1
|
|---|
