KEGG   COMPOUND: C14348Help
Entry
C14348                      Compound                               

Name
Bisphenol A diglycidyl ether;
2,2-Bis(4-glycidyloxyphenyl)propane
Formula
C21H24O4
Exact mass
340.1675
Mol weight
340.4129
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14348  Bisphenol A diglycidyl ether
BRITE hierarchy
Other DBs
CAS: 1675-54-3
PubChem: 17395348
ChEBI: 34578
ChEMBL: CHEMBL1514512 CHEMBL258558
NIKKAJI: J14.164J
KCF data Show

ATOM        25
            1   C8x C    25.2947  -15.8507
            2   C8y C    25.2947  -17.2265
            3   C8x C    26.4641  -17.9144
            4   C8x C    27.6336  -17.2265
            5   C8y C    27.6336  -15.8507
            6   C8x C    26.4641  -15.1628
            7   O2a O    24.0564  -17.8457
            8   C1d C    28.8718  -15.1628
            9   C8y C    30.0412  -15.8507
            10  C1a C    27.6336  -14.4749
            11  C1a C    30.0412  -14.4749
            12  C8x C    30.0412  -17.2265
            13  C8x C    31.2107  -17.9144
            14  C8y C    32.4489  -17.2265
            15  C8x C    32.4489  -15.8507
            16  C8x C    31.2107  -15.1628
            17  O2a O    33.6183  -17.9144
            18  C1b C    22.8870  -17.1577
            19  C1b C    34.7878  -17.2265
            20  C1y C    21.6900  -17.8359
            21  C1y C    35.9848  -17.9047
            22  C1x C    20.3418  -17.8457
            23  O2x O    21.0985  -19.2215
            24  O2x O    36.6451  -19.3590
            25  C1x C    37.3330  -17.9144
BOND        28
            1     2   3 1
            2     8   9 1
            3     3   4 2
            4     8  10 1
            5     4   5 1
            6     8  11 1
            7     5   6 2
            8     6   1 1
            9     2   7 1
            10    1   2 2
            11    9  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16   9 1
            17    5   8 1
            18   14  17 1
            19    7  18 1
            20   17  19 1
            21   18  20 1
            22   19  21 1
            23   20  22 1
            24   20  23 1
            25   23  22 1
            26   21  24 1
            27   21  25 1
            28   25  24 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   CHEMBL (2)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (8)   

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