KEGG   COMPOUND: C10712
Entry
C10712                      Compound                               
Name
Paeonol
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Other DBs
CAS: 552-41-0
PubChem: 12895
ChEBI: 69581
KNApSAcK: C00002704
3DMET: B04082
NIKKAJI: J4.483K
LinkDB
KCF data

ATOM        12
            1   C8x C    24.8429  -17.0400
            2   C8x C    24.8429  -18.4402
            3   C8y C    26.0593  -19.1437
            4   C8x C    27.2687  -18.4402
            5   C8y C    27.2687  -17.0400
            6   C8y C    26.0593  -16.3434
            7   C5a C    26.0610  -14.9433
            8   C1a C    27.2755  -14.2413
            9   O5a O    24.8484  -14.2383
            10  O1a O    28.4755  -16.3443
            11  O2a O    26.0610  -20.5438
            12  C1a C    24.8484  -21.2419
BOND        12
            1     6   1 2
            2     6   7 1
            3     1   2 1
            4     7   8 1
            5     2   3 2
            6     7   9 2
            7     3   4 1
            8     5  10 1
            9     4   5 2
            10    3  11 1
            11    5   6 1
            12   11  12 1

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