KEGG   DRUG: Triethyl citrate
Entry
D06228                      Drug                                   
Name
Triethyl citrate (NF)
Formula
C12H20O7
Exact mass
276.1209
Mol weight
276.28
Structure
Efficacy
Pharmaceutic aid (plasticizer)
Other DBs
CAS: 77-93-0
PubChem: 47207886
ChEBI: 168426
LigandBox: D06228
J-GLOBAL: J4.215C
LinkDB
KCF data

ATOM        19
            1   C1a C    20.9300  -15.0500
            2   C1b C    22.1424  -14.3500
            3   O7a O    23.3549  -15.0500
            4   C7a C    24.5673  -14.3500
            5   C1b C    25.7797  -15.0500
            6   C1d C    26.9922  -14.3500
            7   C7a C    28.2046  -15.0500
            8   O7a O    29.4170  -14.3500
            9   C1b C    30.6295  -15.0500
            10  O6a O    24.5673  -12.9500
            11  C1b C    26.9922  -12.9503
            12  O1a O    26.9922  -15.7500
            13  O6a O    28.2046  -16.4500
            14  C1a C    31.8646  -14.3366
            15  C7a C    28.2254  -12.2380
            16  O6a O    29.4315  -12.9341
            17  O7a O    28.2251  -10.8501
            18  C1b C    29.4261  -10.1563
            19  C1a C    29.4259   -8.7502
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     4  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 2
            13    9  14 1
            14   11  15 1
            15   15  16 2
            16   15  17 1
            17   17  18 1
            18   18  19 1

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