Mrv1652309082219352D 14 16 0 0 1 0 999 V2000 2.6197 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6197 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1908 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4928 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 2.9684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0467 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 3.7934 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 1 6 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 2 9 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 3 0 0 0 0 12 11 1 6 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 > NP0271333 > NP-MRD > O[C@H]1C=CC(=O)[C@@]2(O[C@H]12)C#C[C@@H]1CO1 > InChI=1S/C10H8O4/c11-7-1-2-8(12)10(9(7)14-10)4-3-6-5-13-6/h1-2,6-7,9,11H,5H2/t6-,7+,9-,10+/m1/s1 > NMVKRQSNUNLTPY-KDDQHCCQSA-N > C10H8O4 > 192.17 > 192.042258738 > 4 > 22 > 18.086126500262633 > 1 > 1 > 0 > 1 > (1R,5S,6R)-5-hydroxy-1-{2-[(2R)-oxiran-2-yl]ethynyl}-7-oxabicyclo[4.1.0]hept-3-en-2-one > 0.17382419633333296 > 0 > 3 > 0 > 19.231097948311607 > 13.487626108710778 > -3.3982517954801965 > 62.36 > 47.16460000000001 > 2 > 1 > (1R,5S,6R)-5-hydroxy-1-{2-[(2R)-oxiran-2-yl]ethynyl}-7-oxabicyclo[4.1.0]hept-3-en-2-one > 0 > NP0271333 > (1r,5s,6r)-5-hydroxy-1-{2-[(2r)-oxiran-2-yl]ethynyl}-7-oxabicyclo[4.1.0]hept-3-en-2-one $$$$