KEGG   COMPOUND: C09060Help
Entry
C09060                      Compound                               

Name
Angelicin;
Isopsoralen
Formula
C11H6O3
Exact mass
186.0317
Mol weight
186.1635
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of phenylpropanoids
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C09060  Angelicin
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C09060  Angelicin (plus ultraviolet A radiation)
BRITE hierarchy
Other DBs
CAS: 
523-50-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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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