| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C16H18O3
|
|---|
| Exact mass |
258.1256
|
|---|
| Mol weight |
258.3123
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
C10271 3'-O-Methylbatatasin III
Phytochemical compounds [BR:br08003]
Shikimate / acetate-malonate pathway derived compounds
Stilbenoids
Bibenzyls
C10271 3'-O-Methylbatatasin III
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8x C 20.5033 -16.4256
2 C8y C 20.5033 -17.8259
3 C8x C 21.7129 -18.5225
4 C8y C 22.9225 -17.8259
5 C8x C 22.9225 -16.4256
6 C8y C 21.7129 -15.7219
7 C1b C 24.1366 -18.5217
8 C1b C 25.3497 -17.8242
9 C8y C 26.5640 -18.5198
10 C8x C 26.5630 -19.9155
11 C8x C 27.7771 -20.6182
12 C8x C 28.9903 -19.9136
13 C8y C 28.9893 -18.5132
14 C8x C 27.7750 -17.8105
15 O2a O 21.7146 -14.3215
16 O1a O 19.2901 -18.5232
17 O2a O 30.1953 -17.8087
18 C1a C 22.9292 -13.6194
19 C1a C 31.4096 -18.5116
BOND 20
1 3 4 1
2 4 5 2
3 5 6 1
4 6 1 2
5 9 10 2
6 10 11 1
7 11 12 2
8 12 13 1
9 13 14 2
10 14 9 1
11 4 7 1
12 6 15 1
13 1 2 1
14 2 16 1
15 7 8 1
16 13 17 1
17 2 3 2
18 15 18 1
19 8 9 1
20 17 19 1
|
|---|
