KEGG   COMPOUND: C14313
Entry
C14313                      Compound                               

Name
3',4',7-Trihydroxyisoflavone
Formula
C15H10O5
Exact mass
270.0528
Mol weight
270.2369
Structure
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C14313  3',4',7-Trihydroxyisoflavone
Other DBs
CAS: 485-63-2
PubChem: 17395313
ChEBI: 50399
ChEMBL: CHEMBL13486
KNApSAcK: C00009384
PDB-CCD: 47X[PDBj]
NIKKAJI: J91.438J
KCF data

ATOM        20
            1   C8y C    21.0857  -15.6978
            2   C8x C    22.3371  -14.9331
            3   C8x C    22.4067  -17.7835
            4   C8y C    25.9525  -16.9492
            5   C8x C    21.0857  -17.0883
            6   C8y C    23.5887  -15.6282
            7   C8y C    23.5887  -17.0187
            8   C8y C    24.7707  -17.7139
            9   C8x C    25.9525  -15.6282
            10  O5x O    24.7701  -19.0349
            11  O2x O    24.7010  -14.9331
            12  O1a O    19.8648  -15.0131
            13  C8y C    27.1899  -17.6224
            14  C8x C    27.1555  -19.0478
            15  C8x C    28.4473  -19.7132
            16  C8y C    29.7045  -18.9877
            17  C8y C    29.6684  -17.5624
            18  C8x C    28.3770  -16.8969
            19  O1a O    30.8492  -19.6883
            20  O1a O    30.8427  -16.8658
BOND        22
            1     1   2 2
            2     1   5 1
            3     2   6 1
            4     3   5 2
            5     3   7 1
            6     4   8 1
            7     4   9 2
            8     6   7 2
            9     6  11 1
            10    7   8 1
            11    8  10 2
            12    9  11 1
            13    1  12 1
            14    4  13 1
            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   16  19 1
            22   17  20 1

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