KEGG   COMPOUND: C20456Help
Entry
C20456                      Compound                               

Name
(+)-Secoisolariciresinol
Formula
C20H26O6
Exact mass
362.1729
Mol weight
362.4168
Structure
Mol fileKCF fileDB search
Comment
(-)-Secoisolariciresinol [CPD:C18167]
Reaction
Pathway
map00998  Biosynthesis of secondary metabolites - other antibiotics
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C20456  (+)-Secoisolariciresinol
BRITE hierarchy
Other DBs
CAS: 145265-02-7
PubChem: 163312193
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    13.1261  -16.5494
            2   C8y C    13.1261  -17.9461
            3   C8x C    14.3356  -18.6444
            4   C8x C    15.5452  -17.9461
            5   C8y C    15.5452  -16.5494
            6   C8x C    14.3356  -15.8511
            7   C1b C    16.7798  -15.8511
            8   C1c C    17.9894  -16.5494
            9   C1c C    19.1989  -15.8511
            10  C1b C    20.4084  -16.5494
            11  C8y C    21.6180  -15.8511
            12  C8x C    22.8482  -16.5616
            13  C8y C    24.0579  -15.8635
            14  C8y C    24.0581  -14.4668
            15  C8x C    22.8279  -13.7563
            16  C8x C    21.6182  -14.4544
            17  O1a O    11.9166  -18.6444
            18  O2a O    11.9166  -15.8511
            19  C1a C    10.7240  -16.5399
            20  O2a O    25.2855  -16.5731
            21  C1a C    26.4991  -15.8732
            22  O1a O    25.2969  -13.7517
            23  C1b C    17.9894  -17.9459
            24  C1b C    19.1989  -14.4544
            25  O1a O    20.4105  -13.7549
            26  O1a O    16.7986  -18.6334
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 #Up
            25    9  24 1 #Up
            26   24  25 1
            27   23  26 1

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