Entry |
|
Name |
Toxicarol;
alpha-Toxicarol
|
Formula |
C23H22O7
|
Exact mass |
410.1366
|
Mol weight |
410.4166
|
Structure |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1206 Rotenoid flavonoids
C10537 Toxicarol
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Rotenones
C10537 Toxicarol
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Other DBs |
|
LinkDB |
|
KCF data |
ATOM 30
1 C1y C 26.0228 -17.9727
2 C8y C 27.2074 -18.6730
3 C1y C 24.8148 -18.6497
4 C5x C 26.0345 -16.5898
5 C8y C 27.2541 -20.0445
6 C8x C 28.3978 -18.0078
7 O2x O 23.6885 -17.9494
8 C1x C 24.8031 -20.0269
9 C8y C 24.8382 -15.8836
10 O5x O 27.2424 -15.9069
11 C8x C 28.3570 -20.7448
12 O2x O 25.9935 -20.7272
13 C8y C 29.5767 -18.7081
14 C8y C 23.6302 -16.5664
15 C8y C 24.8439 -14.4949
16 C8y C 29.6233 -20.0736
17 O2a O 30.7846 -18.0311
18 C8y C 22.5039 -15.8719
19 C8x C 23.6419 -13.8003
20 O1a O 26.0519 -13.8120
21 O2a O 30.7437 -20.7913
22 C1a C 31.9809 -18.7431
23 C8y C 22.4396 -14.4832
24 C2x C 21.2376 -16.5722
25 C1a C 31.9576 -20.1086
26 O2x O 21.2376 -13.7946
27 C2x C 20.0354 -15.8719
28 C1z C 20.0354 -14.4832
29 C1a C 18.8333 -13.7946
30 C1a C 18.7749 -15.3992
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 9 15 1
15 11 16 2
16 13 17 1
17 14 18 1
18 15 19 2
19 15 20 1
20 16 21 1
21 17 22 1
22 18 23 2
23 18 24 1
24 21 25 1
25 23 26 1
26 24 27 2
27 26 28 1
28 28 29 1
29 28 30 1
30 8 12 1
31 9 14 2
32 13 16 1
33 19 23 1
34 27 28 1
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