Mrv1572004191602022D 9 8 0 0 0 0 999 V2000 -0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 5 2 1 0 0 0 0 5 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 M END > DB13526 > drugbank > OCC(CO)(CO)CO > InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2 > WXZMFSXDPGVJKK-UHFFFAOYSA-N > C5H12O4 > 136.147 > 136.073558866 > 4 > 21 > 13.534007504226034 > 1 > 4 > 0 > 0 > 2,2-bis(hydroxymethyl)propane-1,3-diol > -1.92 > -2.7385865126666666 > 0.55 > 0 > 0 > 0 > 14.817713825596208 > 14.297559418357409 > -2.842706470203618 > 80.92 > 31.727699999999995 > 4 > 1 > 4.79e+02 g/l > pentek > 0 > DB13526 > experimental > Pentaerithrityl > Pentaerythritol $$$$