444266 -OEChem-02212113293D 12 11 0 0 0 0 0 0 0999 V2000 1.8166 -0.3326 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.0859 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -0.4747 -1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.2906 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 1.2264 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 1.1186 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 0.0629 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.2241 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.2034 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.9971 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -1.1057 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -0.9532 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END > DB04299 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VZCYOOQTPOCHFL-UPHRSURJSA-N/SDF?record_type=3d > OC(=O)\C=C/C(O)=O > InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- > VZCYOOQTPOCHFL-UPHRSURJSA-N > C4H4O4 > 116.0722 > 116.010958616 > 4 > 12 > -1.9743910065498849 > 9.189331551052174 > 1 > 2 > 0 > 0 > (2Z)-but-2-enedioic acid > -0.040914331333333324 > 0 > -2 > 0 > -2 > 5.72044089354492 > 2.853688175816198 > 74.6 > 24.606999999999996 > 2 > 1 > N-demethyldiltiazem > 0 $$$$