KEGG   COMPOUND: C12631
Entry
C12631                      Compound                               

Name
2-Hydroxy-2,3-dihydrogenistein;
2,4',5,7-Tetrahydroxyisoflavanone
Formula
C15H12O6
Exact mass
288.0634
Mol weight
288.2522
Structure
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.87      4.2.1.105
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavanones
    C12631  2-Hydroxy-2,3-dihydrogenistein
Other DBs
PubChem: 583021
ChEBI: 31080
KNApSAcK: C00034377
3DMET: B05648
NIKKAJI: J949.035C
KCF data

ATOM        21
            1   C8y C    24.6021  -15.2245
            2   C8x C    24.6021  -16.6252
            3   C8y C    25.8181  -17.3256
            4   C8x C    25.8181  -14.5241
            5   C8y C    27.0269  -15.2245
            6   C8y C    27.0208  -16.6252
            7   C5x C    28.2309  -17.3307
            8   C1y C    29.4471  -16.6356
            9   C1y C    29.4530  -15.2348
            10  O2x O    28.2430  -14.5292
            11  O5x O    28.2250  -18.7314
            12  O1a O    25.8213  -18.7263
            13  O1a O    23.3893  -14.5234
            14  C8y C    30.6572  -17.3410
            15  C8x C    30.6441  -18.7403
            16  C8x C    31.8542  -19.4457
            17  C8y C    33.1402  -18.7506
            18  C8x C    33.0761  -17.3499
            19  C8x C    31.8660  -16.6444
            20  O1a O    34.2802  -19.4561
            21  O1a O    30.6690  -14.5396
BOND        23
            1     7  11 2
            2     1   2 2
            3     3  12 1
            4     2   3 1
            5     1  13 1
            6     3   6 2
            7     8  14 1
            8     5   4 2
            9     4   1 1
            10    5   6 1
            11    6   7 1
            12    7   8 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   19  14 1
            19    8   9 1
            20   17  20 1
            21    9  10 1
            22    9  21 1 #Either
            23   10   5 1

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