KEGG   COMPOUND: C01752
Entry
C01752                      Compound                               
Name
Scopoletin;
7-Hydroxy-6-methoxy-2H-chromen-2-one
Formula
C10H8O4
Exact mass
192.0423
Mol weight
192.1681
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.11.60      1.14.14.-       2.1.1.-         2.4.1.128
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C01752  Scopoletin
Other DBs
CAS: 92-61-5
PubChem: 4885
ChEBI: 17488
KNApSAcK: C00002499
3DMET: B00343
NIKKAJI: J4.658B
LinkDB
KCF data

ATOM        14
            1   C8y C    22.4000  -17.6400
            2   C8y C    22.4000  -19.0400
            3   C8x C    23.5900  -19.7400
            4   C8y C    24.8500  -19.0400
            5   C8y C    24.8500  -17.6400
            6   C8x C    23.5900  -16.9400
            7   C8x C    21.2100  -16.9400
            8   C8x C    19.9500  -17.6400
            9   C8y C    19.9500  -19.0400
            10  O7x O    21.2100  -19.7400
            11  O2a O    26.0400  -16.9400
            12  C1a C    26.0400  -15.5400
            13  O1a O    26.0400  -19.7400
            14  O6a O    18.7434  -19.7500
BOND        15
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    5  11 1
            13   11  12 1
            14    4  13 1
            15    9  14 2

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