KEGG   COMPOUND: C13671Help
Entry
C13671                      Compound                               

Name
(S)-F-Willardiine;
5-Fluorowillardiine
Formula
C7H8FN3O4
Exact mass
217.0499
Mol weight
217.1545
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 140187-23-1
PubChem: 586263
ChEBI: 34020 42549
ChEMBL: CHEMBL123132
PDB-CCD: FWD[PDBj]
NIKKAJI: J2.785.803A
LinkDB All DBs
KCF data Show

ATOM        15
            1   N4x N    15.6352  -15.5002
            2   C8y C    15.6352  -16.9020
            3   C8y C    16.8492  -17.6028
            4   C8x C    18.0632  -16.9020
            5   N4y N    18.0632  -15.5002
            6   C8y C    16.8492  -14.7993
            7   O5x O    16.8492  -13.3977
            8   O5x O    14.4213  -17.6028
            9   X   F    16.8492  -19.0043
            10  C1b C    19.2959  -14.7883
            11  C1c C    20.5026  -15.4849
            12  C6a C    21.6864  -14.8012
            13  O6a O    22.8819  -15.4914
            14  O6a O    21.6864  -13.3977
            15  N1a N    20.5030  -16.9016
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 2
            9     3   9 1
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   12  14 2
            15   11  15 1 #Up

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