KEGG   COMPOUND: C09060
Entry
C09060                      Compound                               
Name
Angelicin;
Isopsoralen
Formula
C11H6O3
Exact mass
186.0317
Mol weight
186.16
Structure
Reaction
R09002
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.148
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C09060  Angelicin
Other DBs
CAS: 523-50-2
PubChem: 11252
ChEBI: 28928
KNApSAcK: C00002450
NIKKAJI: J1.579B
LinkDB
KCF data

ATOM        14
            1   C8x C    31.3600  -18.4100
            2   C8x C    30.1000  -19.1100
            3   C8y C    28.9100  -18.4100
            4   C8y C    28.9100  -17.0100
            5   O7x O    27.7200  -16.3100
            6   C8y C    26.5300  -17.0100
            7   C8x C    26.5300  -18.4100
            8   C8x C    27.7200  -19.1100
            9   C8y C    30.1000  -16.3100
            10  C8y C    31.3600  -17.0100
            11  O2x O    32.4100  -16.1000
            12  C8x C    31.8500  -14.7700
            13  C8x C    30.4500  -14.9800
            14  O6a O    25.2700  -16.3100
BOND        16
            1     4   5 1
            2     5   6 1
            3     6   7 1
            4     7   8 2
            5     8   3 1
            6     1  10 1
            7     9   4 1
            8     3   2 1
            9     2   1 2
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13   9 1
            15    3   4 2
            16    6  14 2

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