KEGG   COMPOUND: C10672Help
Entry
C10672                      Compound                               

Name
Aspidin
Formula
C25H32O8
Exact mass
460.2097
Mol weight
460.5168
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Others
   Phloroglucinols
    C10672  Aspidin
BRITE hierarchy
Other DBs
CAS: 584-28-1
PubChem: 12855
ChEBI: 2883
ChEMBL: CHEMBL4085355
KNApSAcK: C00002690
3DMET: B04047
NIKKAJI: J13.669G
KCF data Show

ATOM        33
            1   C2y C    28.1845  -16.5835
            2   C2y C    28.1845  -17.9457
            3   C5x C    27.0064  -18.6234
            4   C2y C    25.8354  -17.9457
            5   C2y C    25.8354  -16.5835
            6   C1z C    27.0064  -15.9057
            7   C8y C    34.1138  -16.6469
            8   C8y C    34.1138  -18.0023
            9   C8y C    32.9288  -18.6798
            10  C8y C    31.7578  -18.0023
            11  C8y C    31.7578  -16.6469
            12  C8y C    32.9288  -15.9694
            13  C1b C    29.9633  -18.9198
            14  O1a O    32.9271  -20.0423
            15  C1a C    35.2816  -18.6805
            16  O2a O    35.2816  -15.9687
            17  C1a C    36.4569  -16.6457
            18  C5a C    32.9271  -14.6070
            19  O1a O    30.5752  -15.9702
            20  O1a O    29.3593  -15.9052
            21  O5a O    31.7509  -13.9309
            22  O5x O    27.0047  -19.9786
            23  O1a O    24.6599  -15.9067
            24  C1a C    27.9797  -14.9458
            25  C1a C    26.1250  -14.9440
            26  C5a C    24.6692  -18.6164
            27  C1b C    23.4905  -17.9386
            28  C1b C    22.3258  -18.6093
            29  C1a C    21.1540  -17.9317
            30  O5a O    24.6675  -19.9715
            31  C1b C    34.1421  -13.9011
            32  C1b C    35.3561  -14.5999
            33  C1a C    36.5774  -13.8941
BOND        34
            1    16  17 1
            2     4   5 2
            3    12  18 1
            4     5   6 1
            5    11  19 1
            6     7   8 2
            7     1  20 1
            8     8   9 1
            9    18  21 2
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12   7 1
            14    3  22 2
            15    6   1 1
            16    5  23 1
            17   13  10 1
            18    6  24 1
            19    2  13 1
            20    6  25 1
            21    4  26 1
            22    9  14 1
            23   26  27 1
            24    1   2 2
            25   27  28 1
            26    8  15 1
            27   28  29 1
            28    2   3 1
            29   26  30 2
            30   18  31 1
            31    7  16 1
            32   31  32 1
            33    3   4 1
            34   32  33 1

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