Entry |
|
Name |
|
Formula |
C30H48O4
|
Exact mass |
472.3553
|
Mol weight |
472.70
|
Structure |
|
Reaction |
|
Pathway |
map00999 | Biosynthesis of various plant secondary metabolites |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00971 | QS-7 biosynthesis, 2,3-epoxysqualene => QS-7 |
|
Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Dammarenes
C08942 Echinocystic acid
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 34
1 C1z C 26.4631 -17.9364
2 C1y C 25.2661 -17.2240
3 C1y C 26.4514 -19.3318
4 C1x C 27.6776 -17.2590
5 C6a C 27.6659 -18.6371
6 C2y C 23.9757 -17.9072
7 C1x C 25.2836 -15.8343
8 C1x C 25.2311 -20.0208
9 O1a O 26.4338 -20.7332
10 C1x C 27.6952 -15.8636
11 O6a O 28.8746 -17.9247
12 O6a O 27.6659 -20.0442
13 C1z C 24.0281 -19.3027
14 C2x C 22.8371 -17.2006
15 C1z C 26.5039 -15.1453
16 C1z C 22.8137 -20.0034
17 C1a C 24.0165 -20.6982
18 C1x C 21.6167 -17.8839
19 C1a C 27.1929 -13.9249
20 C1a C 25.7858 -13.9249
21 C1y C 21.6050 -19.2851
22 C1x C 22.8137 -21.3989
23 C1a C 23.4320 -18.5903
24 C1z C 20.3906 -19.9858
25 C1x C 21.5933 -22.0938
26 C1y C 20.3846 -21.3931
27 C1x C 19.1759 -19.2793
28 C1a C 20.3029 -18.5846
29 C1z C 19.1759 -22.0879
30 C1x C 17.9615 -19.9858
31 C1y C 17.9615 -21.3931
32 C1a C 18.4636 -23.5125
33 C1a C 19.8880 -23.5825
34 O1a O 16.7469 -22.0879
BOND 38
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 3 9 1 #Down
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 6 14 2
14 7 15 1
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 1
22 16 23 1 #Up
23 21 24 1
24 22 25 1
25 24 26 1
26 24 27 1
27 24 28 1 #Up
28 26 29 1
29 27 30 1
30 29 31 1
31 29 32 1
32 29 33 1
33 31 34 1 #Up
34 8 13 1
35 10 15 1
36 18 21 1
37 25 26 1
38 30 31 1
|