KEGG   COMPOUND: C10719Help
Entry
C10719                      Compound                               

Name
Nordihydroguaiaretic acid;
NDGA
Formula
C18H22O4
Exact mass
302.1518
Mol weight
302.3649
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10719  Nordihydroguaiaretic acid
BRITE hierarchy
Other DBs
CAS: 
500-38-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    24.1039  -14.4371
            2   C8y C    24.1039  -15.8382
            3   C8x C    22.8429  -16.5388
            4   C8y C    21.6519  -15.8382
            5   C8x C    21.6519  -14.4371
            6   C8x C    22.8429  -13.7365
            7   C1b C    20.4610  -16.5388
            8   C1c C    19.2000  -15.8382
            9   C1c C    18.0090  -16.5388
            10  C1b C    16.8181  -15.8382
            11  C8y C    15.6271  -16.5388
            12  C8x C    15.6271  -17.9399
            13  C8x C    14.3661  -18.6404
            14  C8y C    13.1752  -17.9399
            15  C8y C    13.1752  -16.5388
            16  C8x C    14.3661  -15.8382
            17  C1a C    19.2000  -14.4371
            18  C1a C    18.0090  -17.9399
            19  O1a O    11.9842  -18.6404
            20  O1a O    25.2949  -13.7365
            21  O1a O    25.2949  -16.5388
            22  O1a O    11.9842  -15.8382
BOND        23
            1    10  11 1
            2     5   6 2
            3     6   1 1
            4     4   7 1
            5     1   2 2
            6    11  12 2
            7    12  13 1
            8    13  14 2
            9    14  15 1
            10   15  16 2
            11   16  11 1
            12    7   8 1
            13    8  17 1
            14    2   3 1
            15    9  18 1
            16    8   9 1
            17   14  19 1
            18    3   4 2
            19    1  20 1
            20    9  10 1
            21    2  21 1
            22    4   5 1
            23   15  22 1

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