Mrv1533004151519342D 14 14 0 0 0 0 999 V2000 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0184438 > NP-MRD > OCC(C=C)C1CCOC(=O)C1CO > InChI=1S/C10H16O4/c1-2-7(5-11)8-3-4-14-10(13)9(8)6-12/h2,7-9,11-12H,1,3-6H2 > WTYIVXXPXRFHPA-UHFFFAOYSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.724494340193367 > 1 > 2 > 0 > 1 > 4-(1-hydroxybut-3-en-2-yl)-3-(hydroxymethyl)oxan-2-one > 0.02 > -0.34320225800000037 > -0.37 > 0 > 1 > 0 > 17.98033536052892 > 15.222944481300566 > -1.4952002356054606 > 66.76 > 51.45330000000001 > 4 > 1 > 8.45e+01 g/l > 4-(1-hydroxybut-3-en-2-yl)-3-(hydroxymethyl)oxan-2-one > 0 > NP0184438 > 4-(1-hydroxybut-3-en-2-yl)-3-(hydroxymethyl)oxan-2-one $$$$