KEGG   COMPOUND: C09311Help
Entry
C09311                      Compound                               

Name
Scoparone;
6,7-Dimethoxycoumarin
Formula
C11H10O4
Exact mass
206.0579
Mol weight
206.1947
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09311  Scoparone
BRITE hierarchy
Other DBs
CAS: 120-08-1
PubChem: 11502
ChEBI: 9055
ChEMBL: CHEMBL325864
KNApSAcK: C00002498
3DMET: B02851
NIKKAJI: J5.319H
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    18.1300  -20.6500
            2   C8y C    18.1300  -22.0500
            3   C8x C    19.3424  -22.7500
            4   C8y C    20.5549  -22.0500
            5   C8y C    20.5549  -20.6500
            6   C8x C    19.3424  -19.9500
            7   O7x O    21.7673  -22.7500
            8   C8y C    22.9797  -22.0500
            9   C8x C    22.9797  -20.6500
            10  C8x C    21.7673  -19.9500
            11  O6a O    24.1773  -22.7415
            12  O2a O    16.9176  -19.9500
            13  C1a C    15.7221  -20.6404
            14  O2a O    16.9176  -22.7500
            15  C1a C    15.7221  -22.0596
BOND        16
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 2
            13    1  12 1
            14   12  13 1
            15    2  14 1
            16   14  15 1

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