Mrv1652309082219222D 14 15 0 0 1 0 999 V2000 1.0080 9.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 8.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 7.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 7.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 7.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 7.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 6.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 5.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 4.5341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5228 3.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 3.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6497 7.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 7.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 8.2421 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 9 8 1 1 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 > NP0271168 > NP-MRD > OC\C(C#C[C@H]1CO1)=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-/t8-/m0/s1 > WYMTWRGLKSMOPA-FZGDARCMSA-N > C10H8O4 > 192.17 > 192.042258738 > 3 > 22 > 18.791930333556863 > 1 > 1 > 0 > 1 > (5Z)-5-{1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene}-2,5-dihydrofuran-2-one > -0.1695120113333335 > 0 > 2 > 0 > 14.612169960748332 > -2.9684359676023444 > 59.06 > 50.530800000000006 > 3 > 1 > (5Z)-5-{1-hydroxy-4-[(2S)-oxiran-2-yl]but-3-yn-2-ylidene}furan-2-one > 0 > NP0271168 > (5z)-5-{1-hydroxy-4-[(2s)-oxiran-2-yl]but-3-yn-2-ylidene}furan-2-one $$$$