KEGG   COMPOUND: C22444
Entry
C22444                      Compound                               
Name
5,8-Dihydroxypsoralen
Formula
C11H6O5
Exact mass
218.0215
Mol weight
218.16
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
Other DBs
CAS: 14348-23-3
PubChem: 497619803
LinkDB
KCF data

ATOM        16
            1   C8y C    12.4600  -13.3000
            2   C8x C    12.4600  -14.7000
            3   C8x C    13.6724  -15.4000
            4   C8y C    14.8849  -14.7000
            5   C8y C    14.8849  -13.3000
            6   O7x O    13.6724  -12.6000
            7   C8y C    16.0973  -15.4000
            8   C8y C    17.3097  -14.7000
            9   C8y C    17.3097  -13.3000
            10  C8y C    16.0973  -12.6000
            11  C8x C    18.6412  -15.1326
            12  C8x C    19.4641  -14.0000
            13  O2x O    18.6412  -12.8674
            14  O1a O    16.0973  -16.8000
            15  O1a O    16.0973  -11.2000
            16  O6a O    11.2476  -12.6000
BOND        18
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16    7  14 1
            17   10  15 1
            18    1  16 2

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