KEGG   COMPOUND: C10362
Entry
C10362                      Compound                               
Name
Kigelinone
Formula
C14H10O5
Exact mass
258.0528
Mol weight
258.2262
Structure
Other DBs
CAS: 80931-34-6
PubChem: 12548
ChEBI: 6137
KNApSAcK: C00002833
3DMET: B03775
NIKKAJI: J791.524A
LinkDB
KCF data

ATOM        19
            1   C8y C    30.3228  -19.5358
            2   C5x C    26.9380  -20.9316
            3   C5x C    26.9500  -18.1308
            4   C8y C    25.7334  -20.2268
            5   O5x O    26.9320  -22.3290
            6   C8y C    25.7394  -18.8235
            7   O5x O    26.9561  -16.7334
            8   C8x C    24.5287  -20.9255
            9   C8y C    24.5287  -18.1248
            10  C8x C    23.3181  -20.2268
            11  C8x C    23.3181  -18.8235
            12  O1a O    24.5287  -16.7274
            13  C8y C    28.1607  -18.8356
            14  C8y C    28.1619  -20.2403
            15  C8x C    29.4983  -20.6731
            16  O2x O    29.4962  -18.4003
            17  C1c C    31.7100  -19.5344
            18  C1a C    32.4093  -20.7428
            19  O1a O    32.4107  -18.3180
BOND        21
            1    14   2 1
            2    13   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     6   9 1
            9     8  10 2
            10    9  11 2
            11    9  12 1
            12    4   6 2
            13   10  11 1
            14   13  14 2
            15   14  15 1
            16   15   1 2
            17    1  16 1
            18   16  13 1
            19    1  17 1
            20   17  18 1
            21   17  19 1 #Up

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