KEGG   COMPOUND: C00841Help
Entry
C00841                      Compound                               

Name
Xanthotoxol;
8-Hydroxypsoralen;
8-Hydroxyfuranocoumarin
Formula
C11H6O4
Exact mass
202.0266
Mol weight
202.1629
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01061  Biosynthesis of phenylpropanoids
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C00841  Xanthotoxol
BRITE hierarchy
Other DBs
CAS: 2009-24-7
PubChem: 4098
ChEBI: 15709
ChEMBL: CHEMBL1192
KNApSAcK: C00000582
3DMET: B00186
NIKKAJI: J7.847F
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8x C    24.6400  -19.9500
            2   C8y C    24.6400  -18.5500
            3   O7x O    25.8300  -17.8500
            4   C8y C    27.0900  -18.5500
            5   C8y C    27.0900  -19.9500
            6   C8x C    25.8300  -20.6500
            7   C8y C    28.2800  -17.8500
            8   C8y C    29.4700  -18.5500
            9   C8y C    29.4700  -19.9500
            10  C8x C    28.2800  -20.6500
            11  O2x O    30.8000  -18.1300
            12  C8x C    31.6400  -19.2500
            13  C8x C    30.8000  -20.3700
            14  O1a O    28.2800  -16.4500
            15  O6a O    23.4500  -17.8500
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15    9  13 1
            16    7  14 1
            17    2  15 2

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