KEGG   COMPOUND: C01752Help
Entry
C01752                      Compound                               

Name
Scopoletin
Formula
C10H8O4
Exact mass
192.0423
Mol weight
192.1681
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C01752  Scopoletin
Major components of natural products [BR:br08323]
 Crude drugs
  Dolichos seed
   C01752  Scopoletin
BRITE hierarchy
Other DBs
CAS: 92-61-5
PubChem: 4885
ChEBI: 17488
ChEMBL: CHEMBL71851
KNApSAcK: C00002499
3DMET: B00343
NIKKAJI: J4.658B
KCF data Show

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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