Mrv1533004191516502D 14 15 0 0 0 0 999 V2000 2.4974 1.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 1.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6409 1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 2.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 3.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9466 1.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 1.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -1.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 -1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 3 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 14 1 0 0 0 0 M END > NP0217693 > NP-MRD > OCC(C#CC1CO1)=C1OC(=O)C=C1 > InChI=1S/C10H8O4/c11-5-7(1-2-8-6-13-8)9-3-4-10(12)14-9/h3-4,8,11H,5-6H2 > WYMTWRGLKSMOPA-UHFFFAOYSA-N > C10H8O4 > 192.17 > 192.042258738 > 3 > 22 > 18.74784015141133 > 1 > 1 > 0 > 1 > 5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]-2,5-dihydrofuran-2-one > -0.06 > -0.1695120113333335 > -2.37 > 0 > 2 > 0 > 14.612169960748332 > -2.9684359676023444 > 59.06 > 50.530800000000006 > 3 > 1 > 8.21e-01 g/l > 5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]furan-2-one > 0 > NP0217693 > 5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]furan-2-one $$$$