Mrv1652309122217442D 14 15 0 0 0 0 999 V2000 1.0857 6.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 6.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 6.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 6.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 5.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 5.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 4.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 3.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 2.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 2.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6409 5.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 5.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4582 5.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0330415 > NP-MRD > OC\C(C#CC1CO1)=C1\OC(=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/b9-7+ > WYMTWRGLKSMOPA-VQHVLOKHSA-N > C10H8O4 > 192.17 > 192.042258738 > 3 > 22 > 18.7663071952138 > 1 > 1 > 0 > 1 > (5E)-5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]-2,5-dihydrofuran-2-one > -0.1695120113333335 > 0 > 2 > 0 > 14.612169960748332 > -2.9684359676023444 > 59.06 > 50.5308 > 3 > 1 > (5E)-5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]furan-2-one > 0 > NP0330415 > (5e)-5-[1-hydroxy-4-(oxiran-2-yl)but-3-yn-2-ylidene]furan-2-one $$$$