KEGG   COMPOUND: C11474
Entry
C11474                      Compound                               
Name
Nereistoxin;
NTX
Formula
C5H11NS2
Exact mass
149.0333
Mol weight
149.2775
Structure
Other DBs
CAS: 1631-58-9
PubChem: 13644
ChEBI: 7521
NIKKAJI: J12.471K
KCF data

ATOM        8
            1   S3x S    30.2038  -20.4126
            2   S3x S    30.2040  -19.0153
            3   C1x C    28.8921  -18.5178
            4   C1y C    28.0144  -19.6125
            5   C1x C    28.7843  -20.7807
            6   N1c N    26.6171  -19.6175
            7   C1a C    25.9748  -18.3746
            8   C1a C    25.8620  -20.7951
BOND        8
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   1 1
            5     4   6 1
            6     1   2 1
            7     6   7 1
            8     6   8 1

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