| Entry |
|
|---|
| Name |
Secoisolariciresinol;
(-)-Secoisolariciresinol
|
|---|
| Formula |
C20H26O6
|
|---|
| Exact mass |
362.1729
|
|---|
| Mol weight |
362.4168
|
|---|
| Structure |
|
|---|
| Comment |
(+)-Secoisolariciresinol [CPD: C20456]
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00902 | Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Lignans
Lignans
C18167 (-)-Secoisolariciresinol
Dietary phytochemicals [br08012.html]
Other phytochemicals
C18167
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 26
1 C8y C 21.6661 -19.5594
2 C8y C 21.6661 -20.9561
3 C8x C 22.8756 -21.6544
4 C8x C 24.0852 -20.9561
5 C8y C 24.0852 -19.5594
6 C8x C 22.8756 -18.8611
7 C1b C 25.3198 -18.8611
8 C1c C 26.5294 -19.5594
9 C1c C 27.7389 -18.8611
10 C1b C 28.9484 -19.5594
11 C8y C 30.1580 -18.8611
12 C8x C 31.3882 -19.5716
13 C8y C 32.5979 -18.8735
14 C8y C 32.5981 -17.4768
15 C8x C 31.3679 -16.7663
16 C8x C 30.1582 -17.4644
17 O1a O 20.4566 -21.6544
18 O2a O 20.4566 -18.8611
19 C1a C 19.2640 -19.5499
20 O2a O 33.8255 -19.5831
21 C1a C 35.0391 -18.8832
22 O1a O 33.8369 -16.7617
23 C1b C 26.5294 -20.9559
24 C1b C 27.7389 -17.4644
25 O1a O 28.9505 -16.7649
26 O1a O 25.3386 -21.6434
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 2 17 1
19 1 18 1
20 18 19 1
21 13 20 1
22 20 21 1
23 14 22 1
24 8 23 1 #Down
25 9 24 1 #Down
26 24 25 1
27 23 26 1
|
|---|
