KEGG   COMPOUND: C16227Help
Entry
C16227                      Compound                               

Name
(+)-Sophorol
Formula
C16H12O6
Exact mass
300.0634
Mol weight
300.2629
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanones
    C16227  (+)-Sophorol
BRITE hierarchy
Other DBs
CAS: 524-08-3
PubChem: 47205535
ChEBI: 80394
KNApSAcK: C00009539
NIKKAJI: J91.456H
KCF data Show

ATOM        22
            1   C8y C    28.5600  -33.6000
            2   C8x C    28.5600  -35.0000
            3   C8x C    29.7500  -35.7000
            4   C8y C    30.9400  -35.0000
            5   C8y C    30.9400  -33.6000
            6   C8x C    29.7500  -32.9000
            7   C5x C    32.1300  -35.7000
            8   C1y C    33.3900  -35.0000
            9   C1x C    33.3900  -33.6000
            10  O2x O    32.1300  -32.9000
            11  C8y C    34.5800  -35.6300
            12  C8y C    34.5800  -37.0300
            13  C8x C    35.7700  -37.7300
            14  C8y C    36.9600  -37.0300
            15  C8y C    36.9600  -35.6300
            16  C8x C    35.7700  -34.9300
            17  O2x O    38.3600  -37.5200
            18  C1x C    39.1300  -36.3300
            19  O2x O    38.3600  -35.2100
            20  O1a O    33.3200  -37.8000
            21  O5x O    32.1300  -37.0300
            22  O1a O    27.3000  -32.9000
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 1
            10    9  10 1
            11    5  10 1
            12    8  11 1 #Down
            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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