KEGG   COMPOUND: C18079
Entry
C18079                      Compound                               
Name
Isoscopoletin
Formula
C10H8O4
Exact mass
192.0423
Mol weight
192.1681
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
Enzyme
2.1.1.-
Other DBs
CAS: 776-86-3
PubChem: 96024296
ChEBI: 81484
KNApSAcK: C00039452
NIKKAJI: J12.486I
LinkDB
KCF data

ATOM        14
            1   C8y C    31.7100  -24.8500
            2   C8y C    31.7100  -26.2500
            3   C8x C    32.9000  -26.9500
            4   C8y C    34.1600  -26.2500
            5   C8y C    34.1600  -24.8500
            6   C8x C    32.9000  -24.1500
            7   O7x O    35.3500  -26.9500
            8   C8y C    36.5400  -26.2500
            9   C8x C    36.5400  -24.8500
            10  C8x C    35.3500  -24.1500
            11  O6a O    37.7300  -26.9500
            12  O1a O    30.4500  -24.1500
            13  O2a O    30.4500  -26.9500
            14  C1a C    29.2600  -26.2500
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     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    2  13 1
            15   13  14 1

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