KEGG   COMPOUND: C09921Help
Entry
C09921                      Compound                               

Name
3-Butylidene-7-hydroxyphthalide
Formula
C12H12O3
Exact mass
204.0786
Mol weight
204.2219
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 93236-67-0
PubChem: 12107
ChEBI: 1458
KNApSAcK: C00002983
3DMET: B03380
NIKKAJI: J181.417F
KCF data Show

ATOM        15
            1   C8y C    26.1235  -18.3878
            2   C8y C    26.1235  -19.7854
            3   C2y C    27.4570  -17.9569
            4   C8x C    24.9124  -17.6891
            5   C7x C    27.4570  -20.2163
            6   C8y C    24.9124  -20.4899
            7   O7x O    28.2838  -19.0866
            8   C8x C    23.7011  -18.3878
            9   O6a O    27.8937  -21.5497
            10  C8x C    23.7011  -19.7854
            11  O1a O    24.9124  -21.8933
            12  C2b C    27.8769  -16.6599
            13  C1b C    29.2298  -16.3709
            14  C1b C    29.6612  -15.0387
            15  C1a C    31.0459  -14.7428
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    6  11 1
            11    5   7 1
            12    8  10 2
            13    3  12 2
            14   12  13 1
            15   13  14 1
            16   14  15 1

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