637090 -OEChem-10051719483D 12 11 0 0 0 0 0 0 0999 V2000 2.0046 0.9556 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -1.2284 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -0.3347 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7807 0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3006 0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0896 -0.0380 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 -1.4150 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 1.2805 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3113 -0.1726 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3113 -0.1729 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4222 1.5387 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 0.6105 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 M END > DB02074 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LDHQCZJRKDOVOX-NSCUHMNNSA-N/SDF?record_type=3d > C\C=C\C(O)=O > InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ > LDHQCZJRKDOVOX-NSCUHMNNSA-N > C4H6O2 > 86.0892 > 86.036779436 > 2 > 12 > -0.9949109630756999 > 8.443178849897404 > 1 > 1 > 0 > 0 > (2E)-but-2-enoic acid > 0.94 > 0.9195822873333331 > 0.07 > 0 > -1 > 0 > -1 > 4.708851385526858 > 37.3 > 22.9649 > 1 > 1 > 1.01e+02 g/l > tetrahydrofolic acid > 1 $$$$