KEGG   COMPOUND: C03830
Entry
C03830                      Compound                               
Name
3,4-Dehydro-6-hydroxymellein
Formula
C10H8O4
Exact mass
192.0423
Mol weight
192.1681
Structure
Other DBs
PubChem: 6573
ChEBI: 1369
KNApSAcK: C00000551
NIKKAJI: J61.259F
LinkDB
KCF data

ATOM        14
            1   C8y C    18.4037  -13.4538
            2   C8y C    18.4037  -14.8521
            3   C8x C    17.1896  -12.7673
            4   C8x C    19.6113  -12.7482
            5   C8y C    17.1896  -15.5640
            6   C8y C    19.6240  -15.5577
            7   C8y C    15.9883  -13.4538
            8   C8y C    20.8317  -13.4473
            9   C8x C    15.9883  -14.8521
            10  O1a O    17.2533  -16.9433
            11  O7x O    20.8444  -14.8586
            12  O6a O    19.6177  -16.9369
            13  O1a O    14.7933  -12.7673
            14  C1a C    22.0712  -12.6910
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    7   9 1
            15    8  11 1

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