KEGG   COMPOUND: C09963
Entry
C09963                      Compound                               
Name
Polygonolide
Formula
C12H12O4
Exact mass
220.0736
Mol weight
220.2213
Structure
Other DBs
CAS: 100560-66-5
PubChem: 12149
ChEBI: 8306
KNApSAcK: C00003012
3DMET: B03415
NIKKAJI: J2.379.827A
LinkDB
KCF data

ATOM        16
            1   C8y C    28.6315  -18.8455
            2   C8y C    28.6375  -20.2480
            3   C8x C    27.4267  -18.1378
            4   C8y C    29.8412  -18.1378
            5   C8y C    27.4267  -20.9372
            6   C8y C    29.8529  -20.9312
            7   C8y C    26.2111  -18.8455
            8   C8y C    31.0506  -18.8338
            9   C1a C    29.8352  -16.7351
            10  C8x C    26.2111  -20.2480
            11  O1a O    27.4325  -22.3396
            12  O7x O    31.0566  -20.2362
            13  O6a O    29.7886  -22.3339
            14  O2a O    25.0017  -18.1378
            15  C1a C    32.2604  -18.1261
            16  C1a C    23.7863  -18.8455
BOND        17
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15   14  16 1
            16    7  10 2
            17    8  12 1

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