KEGG   COMPOUND: C16226
Entry
C16226                      Compound                               
Name
2',7-Dihydroxy-4',5'-methylenedioxyisoflavone;
DMI
Formula
C16H10O6
Exact mass
298.0477
Mol weight
298.247
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.45        1.14.14.90
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C16226  2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C16226  2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Other DBs
PubChem: 47205534
ChEBI: 80393
LIPIDMAPS: LMPK12050082
KNApSAcK: C00000649
NIKKAJI: J1.103.717H
KCF data

ATOM        22
            1   C8y C    17.2900  -19.6700
            2   C8x C    17.2900  -21.0700
            3   C8x C    18.5024  -21.7700
            4   C8y C    19.7149  -21.0700
            5   C8y C    19.7149  -19.6700
            6   C8x C    18.5024  -18.9700
            7   C8y C    20.9273  -21.7700
            8   C8y C    22.1397  -21.0700
            9   C8x C    22.1397  -19.6700
            10  O2x O    20.9273  -18.9700
            11  C8y C    23.3373  -21.7615
            12  C8y C    23.3373  -23.1697
            13  C8x C    24.5498  -23.8697
            14  C8y C    25.7622  -23.1697
            15  C8y C    25.7622  -21.7615
            16  C8x C    24.5497  -21.0615
            17  O2x O    27.1015  -23.6048
            18  C1x C    27.9292  -22.4655
            19  O2x O    27.1014  -21.3263
            20  O1a O    22.1045  -23.8818
            21  O5x O    20.9273  -23.1700
            22  O1a O    16.0776  -18.9700
BOND        25
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   15  19 1
            23   12  20 1
            24    7  21 2
            25    1  22 1

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