KEGG   COMPOUND: C00786Help
Entry
C00786                      Compound                               

Name
(-)-Vestitone;
Vestitone
Formula
C16H14O5
Exact mass
286.0841
Mol weight
286.2794
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoflavonoid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.1.1.348       1.3.1.45
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C00786  (-)-Vestitone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanones
    C00786  (-)-Vestitone
BRITE hierarchy
Other DBs
CAS: 
158112-50-6
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C8y C    26.1800  -15.4000
            2   C8x C    26.1800  -16.8000
            3   C8x C    27.3924  -17.5000
            4   C8y C    28.6049  -16.8000
            5   C8y C    28.6049  -15.4000
            6   C8x C    27.3924  -14.7000
            7   C5x C    29.8173  -17.5000
            8   C1y C    31.0297  -16.8000
            9   C1x C    31.0297  -15.4000
            10  O2x O    29.8173  -14.7000
            11  O5x O    29.8173  -18.9000
            12  O1a O    24.9676  -14.7000
            13  C8y C    32.2273  -17.4915
            14  C8y C    32.2273  -18.8997
            15  C8x C    33.4398  -19.5997
            16  C8y C    34.6522  -18.8997
            17  C8x C    34.6522  -17.4915
            18  C8x C    33.4397  -16.7915
            19  O1a O    30.9945  -19.6118
            20  O2a O    35.8631  -19.5988
            21  C1a C    37.0576  -18.9090
BOND        23
            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 1
            10    9  10 1
            11    5  10 1
            12    7  11 2
            13    1  12 1
            14    8  13 1 #Up
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   14  19 1
            22   16  20 1
            23   20  21 1

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