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
map00940  Phenylpropanoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.11.60      2.4.1.128
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C01752  Scopoletin
Major components of natural products [BR:br08323]
 Crude drugs
  Dolichos seed
   C01752  Scopoletin
Other DBs
CAS: 92-61-5
PubChem: 4885
ChEBI: 17488
ChEMBL: CHEMBL71851
KNApSAcK: C00002499
3DMET: B00343
NIKKAJI: J4.658B
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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