KEGG   COMPOUND: C18167Help
Entry
C18167                      Compound                               

Name
Secoisolariciresinol;
(-)-Secoisolariciresinol
Formula
C20H26O6
Exact mass
362.1729
Mol weight
362.4168
Structure
Mol fileKCF fileDB search
Comment
(+)-Secoisolariciresinol [CPD:C20456]
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.331       1.23.1.2
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C18167  (-)-Secoisolariciresinol
BRITE hierarchy
Other DBs
CAS: 29388-59-8
PubChem: 96024383
ChEBI: 65004
ChEMBL: CHEMBL368347
KNApSAcK: C00000604
LinkDB All DBs
KCF data Show

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

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