KEGG   COMPOUND: C17454
Entry
C17454                      Compound                               
Name
Paeonilactone A
Formula
C10H14O4
Exact mass
198.0892
Mol weight
198.2158
Structure
Other DBs
PubChem: 96023803
ChEBI: 81100
KNApSAcK: C00010955
NIKKAJI: J181.248C
LinkDB
KCF data

ATOM        14
            1   C1z C    25.0600  -21.5600
            2   C5x C    25.0600  -22.9600
            3   C1x C    26.2724  -23.6600
            4   C1y C    27.4849  -22.9600
            5   C1y C    27.4849  -21.5600
            6   C1x C    26.2724  -20.8600
            7   C1y C    28.8164  -23.3926
            8   C7x C    29.6393  -22.2600
            9   O7x O    28.8164  -21.1274
            10  O6a O    31.0100  -22.2600
            11  C1a C    29.2476  -24.4394
            12  O5x O    23.8476  -23.6600
            13  O1a O    23.6600  -21.7000
            14  C1a C    24.3600  -20.3476
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    7  11 1 #Down
            13    2  12 2
            14    1  13 1 #Up
            15    1  14 1 #Down

» Japanese version

DBGET integrated database retrieval system