KEGG   COMPOUND: C17455
Entry
C17455                      Compound                               
Name
Paeonilactone B
Formula
C10H12O4
Exact mass
196.0736
Mol weight
196.1999
Structure
Other DBs
PubChem: 96023804
ChEBI: 81101
KNApSAcK: C00010956
NIKKAJI: J181.249A
LinkDB
KCF data

ATOM        14
            1   C1z C    33.1800  -23.2400
            2   C5x C    33.1800  -24.6400
            3   C1x C    34.4400  -25.3400
            4   C1y C    35.6300  -24.6400
            5   C1y C    35.6300  -23.2400
            6   C1x C    34.4400  -22.5400
            7   C2y C    37.0300  -25.0600
            8   C7x C    37.8000  -23.9400
            9   O7x O    37.0300  -22.8200
            10  O6a O    39.2000  -23.9400
            11  O5x O    31.9900  -25.3400
            12  O1a O    31.7800  -23.3800
            13  C1a C    32.4800  -21.9800
            14  C2a C    37.4949  -26.2405
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    2  11 2
            13    1  12 1 #Up
            14    1  13 1 #Down
            15    7  14 2

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