KEGG   COMPOUND: C16924Help
Entry
C16924                      Compound                               

Name
Butylidenephthalide
Formula
C12H12O2
Exact mass
188.0837
Mol weight
188.2225
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 551-08-6
PubChem: 96023416
ChEBI: 68233
ChEMBL: CHEMBL249592
KNApSAcK: C00029489 C00041976
NIKKAJI: J167.327K
KCF data Show

ATOM        14
            1   C8x C    27.8111  -22.0216
            2   C8x C    27.8111  -23.4101
            3   C8x C    29.0135  -24.1043
            4   C8y C    30.2160  -23.4101
            5   C8y C    30.2160  -22.0216
            6   C8x C    29.0135  -21.3274
            7   C7x C    31.5366  -23.8391
            8   O7x O    32.3527  -22.7159
            9   C2y C    31.5366  -21.5926
            10  O6a O    31.9642  -25.1550
            11  C2b C    31.9814  -20.2218
            12  C1b C    33.3572  -19.9287
            13  C1b C    33.7863  -18.6073
            14  C1a C    35.1756  -18.3115
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    5   9 1
            11    7  10 2
            12    9  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1

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