| Entry |
|
|---|
| Name |
Khellol glucoside;
Khelloside
|
|---|
| Formula |
C19H20O10
|
|---|
| Exact mass |
408.1056
|
|---|
| Mol weight |
408.3561
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1311 Benzopyranoids
C09011 Khellol glucoside
Phytochemical compounds [BR:br08003]
Polyketides
Pyrones
Chromones
C09011 Khellol glucoside
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 22.2948 -14.5863
2 C8y C 22.2831 -15.9882
3 C8x C 21.0796 -13.8731
4 O2x O 23.5098 -13.8965
5 C8y C 21.0622 -16.6768
6 C8y C 23.4865 -16.6885
7 C8y C 19.8645 -14.5746
8 C8y C 24.7191 -14.6039
9 C8y C 19.8528 -15.9767
10 O2a O 21.0563 -18.0727
11 C8x C 24.7074 -16.0058
12 O5x O 23.5507 -18.0961
13 O2x O 18.5329 -14.1239
14 C1b C 25.9285 -13.9198
15 C8x C 18.5153 -16.3967
16 C1a C 19.8470 -18.7685
17 C8x C 17.6983 -15.2575
18 O2a O 27.1813 -14.6048
19 C1y C 28.4044 -15.2794
20 O2x O 28.4277 -16.6695
21 C1y C 29.6067 -14.5616
22 C1y C 29.6475 -17.3535
23 C1y C 30.8217 -15.2386
24 O1a O 29.5833 -13.1655
25 C1y C 30.7751 -16.6404
26 C1b C 29.6708 -18.7496
27 O1a O 32.0252 -14.5206
28 O1a O 32.0660 -17.3184
29 O1a O 28.4687 -19.4616
BOND 32
1 6 12 2
2 7 13 1
3 8 14 1
4 9 15 1
5 10 16 1
6 13 17 1
7 14 18 1
8 7 9 1
9 8 11 2
10 15 17 2
11 1 2 2
12 1 3 1
13 1 4 1
14 2 5 1
15 2 6 1
16 3 7 2
17 4 8 1
18 5 9 2
19 5 10 1
20 6 11 1
21 19 20 1
22 19 21 1
23 20 22 1
24 21 23 1
25 21 24 1 #Down
26 22 25 1
27 22 26 1 #Up
28 23 27 1 #Up
29 25 28 1 #Down
30 26 29 1
31 23 25 1
32 19 18 1 #Up
|
|---|
