KEGG   COMPOUND: C10502
Entry
C10502                      Compound                               

Name
(-)-Maackiain;
Inermin
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1207 Pterocarpans
    C10502  (-)-Maackiain
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C10502  (-)-Maackiain
Other DBs
CAS: 2035-15-6
PubChem: 12685
ChEBI: 99
ChEMBL: CHEMBL334918
KNApSAcK: C00002546
3DMET: B03905
NIKKAJI: J14.944F
KCF data

ATOM        21
            1   C1y C    24.7224  -16.9750
            2   C1y C    25.9407  -16.2872
            3   C8y C    23.5333  -16.2756
            4   O2x O    25.0079  -18.3448
            5   C8y C    26.9723  -17.2257
            6   C1x C    25.9464  -14.9000
            7   C8y C    23.5392  -14.8883
            8   C8x C    22.3443  -16.9693
            9   C8y C    26.3894  -18.4963
            10  C8x C    28.3595  -17.0974
            11  O2x O    24.7458  -14.2005
            12  C8x C    22.3443  -14.1948
            13  C8x C    21.1378  -16.2756
            14  C8x C    27.1996  -19.6329
            15  C8y C    29.1639  -18.2340
            16  C8y C    21.1378  -14.8883
            17  C8y C    28.5868  -19.5105
            18  O2x O    30.5569  -18.3972
            19  O1a O    19.9370  -14.1948
            20  O2x O    29.6127  -20.4547
            21  C1x C    30.8309  -19.7669
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    9  14 1
            14   10  15 2
            15   12  16 2
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21    5   9 2
            22    7  11 1
            23   13  16 1
            24   15  17 1
            25   20  21 1

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