KEGG   COMPOUND: C15510Help
Entry
C15510                      Compound                               

Name
4-Glyceollidin;
4-Dimethylallylglycinol;
4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan
Formula
C20H20O5
Exact mass
340.1311
Mol weight
340.3698
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Pterocarpans
    C15510  4-Glyceollidin
BRITE hierarchy
Other DBs
CAS: 77979-21-6
PubChem: 17396502
ChEBI: 50036
KNApSAcK: C00009689
NIKKAJI: J156.716K
KCF data Show

ATOM        25
            1   C1y C    28.8610  -19.7788
            2   C1z C    30.0732  -19.0997
            3   C8y C    27.6534  -19.0880
            4   O2x O    29.1356  -21.1500
            5   C8y C    31.1044  -20.0430
            6   C1x C    30.0790  -17.6992
            7   O1a O    31.2574  -18.2497
            8   C8y C    27.6592  -17.6804
            9   C8x C    26.4516  -19.7788
            10  C8y C    30.5303  -21.3020
            11  C8x C    32.4931  -19.9015
            12  O2x O    28.8785  -16.9895
            13  C8y C    26.4516  -16.9836
            14  C8x C    25.2394  -19.0880
            15  C8x C    31.3450  -22.4454
            16  C8x C    33.3019  -21.0332
            17  C8y C    25.2394  -17.6804
            18  C8y C    32.7338  -22.3038
            19  O1a O    24.0260  -16.9836
            20  O1a O    33.5487  -23.4414
            21  C1b C    26.4529  -15.6100
            22  C2b C    25.2464  -14.9120
            23  C2c C    25.2476  -13.5102
            24  C1a C    26.4774  -12.8014
            25  C1a C    24.0526  -12.8187
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 2
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    5  10 2
            21    8  12 1
            22   14  17 1
            23   16  18 1
            24   13  21 1
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   23  25 1

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