KEGG   COMPOUND: C13194
Entry
C13194                      Compound                               

Name
Calcium sulfate;
Gypsum
Formula
CaSO4
Exact mass
135.9143
Mol weight
136.1406
Structure
Remark
Same as: D09201
Other DBs
CAS: 7778-18-9
PubChem: 585938
ChEBI: 31346
ChEMBL: CHEMBL2106140
NIKKAJI: J43.738G
KCF data

ATOM        6
            1   S4a S    17.4246  -14.4942
            2   O1d O    17.4175  -13.0942
            3   O1d O    17.4175  -15.8941
            4   O1d O    18.8246  -14.4942 #-
            5   O1d O    16.0246  -14.4942 #-
            6   Z   Ca   21.2710  -14.3881 #2+
BOND        4
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2

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