KEGG   COMPOUND: C10651Help
Entry
C10651                      Compound                               

Name
Magnolol
Formula
C18H18O2
Exact mass
266.1307
Mol weight
266.3343
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Neolignans
    C10651  Magnolol
Major components of natural products [BR:br08323]
 Crude drugs
  Magnolia bark
   C10651  Magnolol
BRITE hierarchy
Other DBs
CAS: 528-43-8
PubChem: 12834
ChEBI: 6643
ChEMBL: CHEMBL180920
KNApSAcK: C00000591
PDB-CCD: MLO[PDBj]
3DMET: B04029
NIKKAJI: J277.749E
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    18.6200  -26.3200
            2   C8x C    18.6200  -27.7200
            3   C8x C    19.8324  -28.4200
            4   C8y C    21.0449  -27.7200
            5   C8y C    21.0449  -26.3200
            6   C8x C    19.8324  -25.6200
            7   C8y C    22.2760  -25.6090
            8   C8x C    23.4812  -26.3047
            9   C8y C    24.6935  -25.6046
            10  C8x C    24.6935  -24.2046
            11  C8x C    23.4883  -23.5089
            12  C8y C    22.2759  -24.2090
            13  O1a O    21.0564  -23.5049
            14  O1a O    22.2760  -28.4310
            15  C1b C    25.9251  -26.3154
            16  C2b C    27.1165  -25.6272
            17  C2a C    28.3060  -26.3137
            18  C1b C    17.4076  -25.6200
            19  C2b C    16.2121  -26.3104
            20  C2a C    15.0247  -25.6249
BOND        21
            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 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   12  13 1
            15    4  14 1
            16    9  15 1
            17   15  16 1
            18   16  17 2
            19    1  18 1
            20   18  19 1
            21   19  20 2

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