38 -OEChem-10051720223D 20 19 0 0 0 0 0 0 0999 V2000 -1.4882 -0.3836 -1.9013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 1.7797 -0.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 0.4066 -0.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5008 -1.5052 0.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9668 -0.0036 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3848 -1.0194 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9961 1.1352 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9173 -0.6992 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3902 0.5961 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5884 -0.3065 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -1.4435 -0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6853 -1.8536 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 0.7535 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 1.6888 -0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 1.8599 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 -0.9824 2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3155 -1.6125 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -0.0355 2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7726 -1.0616 -2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4789 -0.1525 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 9 2 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 M END > DB03795 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PKVVTUWHANFMQC-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(CO)C(=O)C(O)=O > InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) > PKVVTUWHANFMQC-UHFFFAOYSA-N > C6H10O4 > 146.1412 > 146.057908808 > 4 > 20 > -0.9998240996747514 > 13.833096792405172 > 1 > 2 > 0 > 0 > 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid > -0.35 > 0.5846392240000005 > -0.13 > 0 > -1 > 0 > -1 > 14.980989916536032 > 3.245393682919492 > -2.820508568337858 > 74.6 > 33.4668 > 3 > 1 > 1.09e+02 g/l > tetrahydrofolic acid > 0 $$$$