KEGG   COMPOUND: C16817
Entry
C16817                      Compound                               
Name
Goitrin
Formula
C5H7NOS
Exact mass
129.0248
Mol weight
129.1802
Structure
Other DBs
CAS: 500-12-9
PubChem: 96023341
ChEBI: 80751
NIKKAJI: J21.392F
LinkDB
KCF data

ATOM        8
            1   C2y C    30.5987  -19.0317
            2   O2x O    29.4880  -19.8837
            3   C1y C    29.9552  -21.2034
            4   C1x C    31.3546  -21.2368
            5   N1x N    31.7523  -19.8246
            6   S0  S    30.5622  -17.6639
            7   C2b C    29.1666  -22.3502
            8   C2a C    27.7580  -22.3092
BOND        8
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     3   7 1
            8     7   8 2

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