KEGG   COMPOUND: C12631Help
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
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
PubChem: 583021
ChEBI: 31080
KNApSAcK: C00034377
3DMET: B05648
NIKKAJI: J949.035C
LinkDB All DBs
KCF data Show

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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