| Entry |
|
|---|
| Name |
Broussin;
7-Hydroxy-4'-methoxyflavan
|
|---|
| Formula |
C16H16O3
|
|---|
| Exact mass |
256.1099
|
|---|
| Mol weight |
256.2964
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1202 Flavans, Flavanols and Leucoanthocyanidins
C09505 Broussin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavans
C09505 Broussin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 19
1 C1y C 26.4256 -20.5008
2 O2x O 25.2140 -19.7960
3 C1x C 26.4899 -21.8989
4 C8y C 23.9965 -20.4891
5 C1x C 25.2024 -22.5980
6 C8y C 23.9906 -21.8873
7 C8x C 22.7847 -19.7903
8 C8x C 22.7847 -22.5922
9 C8y C 21.5731 -20.4891
10 C8x C 21.5731 -21.8873
11 O1a O 20.3615 -19.7903
12 C8y C 27.6352 -19.8083
13 C8x C 28.8490 -20.5125
14 C8x C 27.6431 -18.4096
15 C8x C 30.0665 -19.8193
16 C8x C 28.8607 -17.7105
17 C8y C 30.0723 -18.4212
18 O2a O 31.2781 -17.7222
19 C1a C 32.4899 -18.4271
BOND 21
1 7 9 2
2 8 10 2
3 9 11 1
4 5 6 1
5 9 10 1
6 1 12 1 #Down
7 1 2 1
8 1 3 1
9 2 4 1
10 3 5 1
11 4 6 2
12 4 7 1
13 6 8 1
14 12 13 2
15 12 14 1
16 13 15 1
17 14 16 2
18 15 17 2
19 17 18 1
20 18 19 1
21 16 17 1
|
|---|
