| Entry |
|
|---|
| Name |
Marmesin;
(+)-Marmesin;
(S)-2-(2-Hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
|
|---|
| Formula |
C14H14O4
|
|---|
| Exact mass |
246.0892
|
|---|
| Mol weight |
246.2586
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Coumarins
Furanocoumarins
C09276 Marmesin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C8y C 27.7200 -17.5000
2 C8y C 27.7200 -16.1000
3 C8x C 28.9100 -18.2000
4 C1x C 26.3200 -17.9900
5 C8x C 28.8400 -15.4000
6 O2x O 26.2500 -15.7500
7 C8y C 30.1000 -17.4300
8 C1y C 25.4800 -16.8700
9 C8y C 30.1000 -16.0300
10 C8x C 31.3600 -18.1300
11 C1d C 24.0800 -16.9400
12 O7x O 31.2900 -15.3300
13 C8x C 32.5500 -17.3600
14 C1a C 23.3100 -15.7500
15 C1a C 23.4500 -18.1300
16 O1a O 22.8200 -16.9400
17 C8y C 32.5500 -15.9600
18 O6a O 33.7400 -15.1900
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 #Up
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
|
|---|
