| Entry |
|
|---|
| Name |
Pluviatolide;
(-)-Pluviatolide;
(3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
|---|
| Formula |
C20H20O6
|
|---|
| Exact mass |
356.126
|
|---|
| Mol weight |
356.3692
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00902 | Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C1y C 19.3283 -17.8997
2 C1y C 17.9218 -17.8997
3 C1b C 20.5422 -18.6065
4 C7x C 19.7598 -16.5761
5 C1b C 16.7077 -18.6065
6 C1x C 17.4833 -16.5761
7 C8y C 21.7492 -17.8997
8 O7x O 18.6215 -15.7469
9 O6a O 20.9446 -15.8695
10 C8y C 15.4940 -17.8997
11 C8x C 22.9575 -18.6065
12 C8x C 21.7434 -16.4991
13 C8x C 14.2799 -18.6065
14 C8x C 15.4940 -16.4991
15 C8x C 24.1716 -17.8997
16 C8y C 22.9575 -15.7994
17 C8x C 13.0658 -17.8997
18 C8y C 14.2799 -15.8052
19 C8y C 24.1716 -16.4991
20 C8y C 13.0658 -16.4991
21 O1a O 25.3853 -15.7994
22 O2a O 22.9575 -14.4044
23 C1a C 24.1657 -13.7069
24 O2x O 13.9951 -14.4361
25 C1x C 12.6050 -14.2838
26 O2x O 12.0307 -15.5588
BOND 29
1 2 5 1 #Up
2 2 6 1
3 3 7 1
4 4 8 1
5 4 9 2
6 5 10 1
7 7 11 2
8 7 12 1
9 10 13 1
10 10 14 2
11 11 15 1
12 12 16 2
13 13 17 2
14 14 18 1
15 15 19 2
16 17 20 1
17 19 21 1
18 6 8 1
19 16 19 1
20 18 20 2
21 1 2 1
22 1 3 1 #Down
23 16 22 1
24 1 4 1
25 22 23 1
26 18 24 1
27 24 25 1
28 25 26 1
29 20 26 1
|
|---|
