Mrv1652309042205152D 15 16 0 0 1 0 999 V2000 -4.4358 1.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6821 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4849 0.0000 C 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 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7545 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 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 10 14 1 1 0 0 0 10 15 1 0 0 0 0 7 15 1 0 0 0 0 M END > NP0187181 > NP-MRD > CC#CC#C\C=C1\O[C@@]2(CCCO2)C=C1 > InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m0/s1 > WTRXKCNFPMTAJV-WHGQRRHOSA-N > C13H12O2 > 200.237 > 200.083729626 > 2 > 27 > 22.927907940470504 > 1 > 0 > 0 > 1 > (2E,5S)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene > 2.725074503666666 > 0 > 2 > 0 > -4.272706731532557 > 18.46 > 62.465200000000024 > 2 > 1 > (2E,5S)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene > 1 > NP0187181 > (2e,5s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene $$$$