Mrv1652309082204422D 20 21 0 0 1 0 999 V2000 -0.2363 -4.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -3.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4087 -2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -2.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 -1.3054 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 2 0 0 0 0 0 0 0 0 0 1.6820 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7445 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -0.3020 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 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 1 0 0 0 7 20 1 0 0 0 0 M END > NP0260519 > NP-MRD > CC#CC#C\C=C1/O[C@]2(CC[C@H](CO2)OC(C)=O)C=C1 > InChI=1S/C16H16O4/c1-3-4-5-6-7-14-8-10-16(20-14)11-9-15(12-18-16)19-13(2)17/h7-8,10,15H,9,11-12H2,1-2H3/b14-7-/t15-,16+/m1/s1 > MAHUDAPJBQCAMM-QAIKFOBFSA-N > C16H16O4 > 272.3 > 272.104858995 > 3 > 36 > 29.434439330611543 > 1 > 0 > 0 > 1 > (2Z,5R,8R)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate > 2.5358649719999997 > 0 > 2 > 0 > -4.2867489338477585 > 44.760000000000005 > 77.57920000000001 > 4 > 1 > (2Z,5R,8R)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate > 0 > NP0260519 > (2z,5r,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate $$$$