KEGG   COMPOUND: C10709
Entry
C10709                      Compound                               
Name
Multifidol
Formula
C11H14O4
Exact mass
210.0892
Mol weight
210.2265
Structure
Other DBs
CAS: 125074-06-8
PubChem: 12892
ChEBI: 7020
KNApSAcK: C00002703
3DMET: B05467
NIKKAJI: J477.911H
LinkDB
KCF data

ATOM        15
            1   C8y C    26.1825  -19.8704
            2   C8x C    26.1825  -21.2709
            3   C8y C    27.3992  -21.9745
            4   C8x C    28.6089  -21.2709
            5   C8y C    28.6089  -19.8704
            6   C8y C    27.3992  -19.1737
            7   C5a C    27.4009  -17.7732
            8   O1a O    24.9691  -19.1730
            9   O1a O    29.8231  -19.1745
            10  O1a O    27.4009  -23.3751
            11  C1c C    28.6157  -17.0710
            12  C1b C    29.8285  -17.7762
            13  O5a O    26.1881  -17.0680
            14  C1a C    31.0375  -17.0832
            15  C1a C    28.6175  -15.6776
BOND        15
            1     1   8 1
            2     2   3 2
            3     5   9 1
            4     3   4 1
            5     3  10 1
            6     4   5 2
            7     7  11 1
            8     5   6 1
            9     6   1 2
            10   11  12 1
            11    6   7 1
            12    7  13 2
            13   12  14 1
            14    1   2 1
            15   11  15 1

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