Entry |
|
Name |
Nodakenetin;
(-)-Marmesin
|
Formula |
C14H14O4
|
Exact mass |
246.0892
|
Mol weight |
246.2586
|
Structure |
|
Comment |
|
Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Coumarins
Furanocoumarins
C09278 Nodakenetin
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 18
1 C8y C 27.7200 -17.3600
2 C8y C 27.7200 -15.9600
3 C8x C 28.9100 -18.0600
4 C1x C 26.3900 -17.8500
5 C8x C 28.9100 -15.2600
6 O2x O 26.3200 -15.5400
7 C8y C 30.1000 -17.3600
8 C1y C 25.5500 -16.6600
9 C8y C 30.1000 -15.9600
10 C8x C 31.3600 -18.0600
11 C1d C 24.1500 -16.6600
12 O7x O 31.2900 -15.2600
13 C8x C 32.5500 -17.3600
14 C1a C 23.3800 -15.4700
15 C1a C 23.3800 -17.9200
16 O1a O 22.8900 -16.6600
17 C8y C 32.5500 -15.9600
18 O6a O 33.7400 -15.2600
BOND 20
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 8 11 1 #Down
11 9 12 1
12 10 13 2
13 11 14 1
14 11 15 1
15 11 16 1
16 12 17 1
17 17 18 2
18 6 8 1
19 7 9 2
20 13 17 1
|