KEGG   COMPOUND: C14223
Entry
C14223                      Compound                               
Name
Phenolphthalin
Formula
C20H16O4
Exact mass
320.1049
Mol weight
320.3386
Structure
Other DBs
CAS: 81-90-3
PubChem: 7847033
ChEBI: 34915
NIKKAJI: J8.609F
LinkDB
KCF data

ATOM        24
            1   C8x C    28.6325  -17.2935
            2   C8y C    28.6325  -18.6938
            3   C8x C    29.8452  -19.3939
            4   C8x C    31.0579  -18.6938
            5   C8y C    31.0579  -17.2935
            6   C8x C    29.8452  -16.5934
            7   C8x C    33.4832  -18.6938
            8   C8y C    33.4832  -17.2935
            9   C1c C    32.2705  -16.5934
            10  C8x C    34.6959  -19.3939
            11  C8y C    35.9085  -18.6938
            12  C8x C    35.9085  -17.2935
            13  C8x C    34.6959  -16.5934
            14  C8y C    32.2705  -15.1931
            15  C8y C    33.4853  -14.4918
            16  C8x C    33.4853  -13.0915
            17  C8x C    32.2725  -12.3914
            18  C8x C    31.0579  -13.0927
            19  C8x C    31.0579  -14.4930
            20  O1a O    27.4199  -19.3939
            21  O1a O    37.1253  -19.3962
            22  C6a C    34.8855  -14.4918
            23  O6a O    35.5805  -15.6959
            24  O6a O    35.5796  -13.2896
BOND        26
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22    2  20 1
            23   11  21 1
            24   15  22 1
            25   22  23 2
            26   22  24 1

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