| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C38H60O18
|
|---|
| Exact mass |
804.378
|
|---|
| Mol weight |
804.8722
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01062 | Biosynthesis of terpenoids and steroids |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010413 Kaurane and phyllocladane diterpenoids
C09189 Stevioside
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Kaurenes
C09189 Stevioside
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 56
1 O7a O 26.3804 -23.1358
2 C1y C 25.1797 -23.8419
3 O2x O 23.9774 -23.1687
4 C1y C 25.2071 -25.2285
5 C1y C 22.7931 -23.8625
6 C1y C 24.0078 -25.9206
7 O1a O 26.4145 -25.9045
8 C1y C 22.8024 -25.2525
9 C1b C 21.5857 -23.1865
10 O1a O 24.0259 -27.3091
11 O1a O 21.6108 -25.9571
12 O1a O 20.4032 -23.8959
13 C1z C 30.1018 -18.5058
14 C1y C 28.9267 -17.7980
15 C1x C 31.3074 -17.8227
16 C1x C 30.1018 -19.8838
17 C1z C 27.7213 -18.4941
18 C1x C 28.9324 -16.4200
19 C1z C 31.2560 -16.4445
20 C1x C 28.9150 -20.5657
21 C1y C 27.7096 -19.8781
22 C1x C 26.5216 -17.7923
23 C1a C 27.7096 -17.1102
24 C1x C 30.1322 -15.7440
25 O2a O 31.3141 -15.0242
26 C1z C 26.5225 -20.5654
27 C1x C 25.3149 -18.4941
28 C1y C 32.5655 -14.2148
29 C1x C 25.3149 -19.8781
30 C1y C 32.5712 -12.8367
31 O2x O 33.7722 -14.9097
32 O2a O 31.3775 -12.1418
33 C1y C 33.7722 -12.1535
34 C1y C 34.9650 -14.2264
35 C1y C 31.3658 -10.7580
36 C1y C 34.9650 -12.8367
37 O1a O 33.7839 -10.7639
38 C1b C 36.1644 -14.9213
39 O2x O 32.5469 -10.0574
40 C1y C 30.1604 -10.0761
41 O1a O 36.1644 -12.1535
42 O1a O 37.3584 -14.2393
43 C1y C 32.5410 -8.6736
44 C1y C 30.1545 -8.6922
45 O1a O 28.9606 -10.7756
46 C1y C 31.3356 -7.9976
47 C1b C 33.7477 -7.9917
48 O1a O 28.9490 -8.0317
49 O1a O 31.3297 -6.6250
50 C1x C 31.2920 -19.1889
51 C2y C 32.5167 -17.1408
52 C2a C 33.8589 -16.7921
53 C1a C 26.9214 -21.9691
54 C7a C 25.8204 -21.7904
55 O6a O 24.4269 -21.7949
56 O1a O 33.7606 -6.5983
BOND 62
1 2 1 1 #Up
2 2 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 13 14 1
12 13 15 1
13 13 16 1
14 14 17 1
15 14 18 1
16 15 19 1
17 16 20 1
18 17 21 1
19 17 22 1
20 17 23 1 #Down
21 18 24 1
22 19 25 1 #Down
23 21 26 1
24 22 27 1
25 28 25 1 #Up
26 26 29 1
27 28 30 1
28 28 31 1
29 30 32 1 #Down
30 30 33 1
31 31 34 1
32 35 32 1 #Up
33 33 36 1
34 33 37 1 #Up
35 34 38 1 #Up
36 35 39 1
37 35 40 1
38 36 41 1 #Down
39 38 42 1
40 39 43 1
41 40 44 1
42 40 45 1 #Down
43 43 46 1
44 43 47 1 #Up
45 44 48 1 #Up
46 46 49 1 #Down
47 19 24 1
48 20 21 1
49 27 29 1
50 34 36 1
51 44 46 1
52 13 50 1 #Up
53 19 51 1 #Up
54 50 51 1
55 51 52 2
56 26 53 1 #Up
57 26 54 1 #Down
58 54 1 1
59 9 12 1
60 54 55 2
61 6 8 1
62 47 56 1
|
|---|
