Mrv1652309082208352D 17 19 0 0 1 0 999 V2000 3.1424 6.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 5.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 4.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 4.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4487 3.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 2.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2457 1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 1.1815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1255 1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 1.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 0.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5639 0.3720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0025 -0.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 0.7800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8956 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0796 1.3414 0.0000 C 0 0 1 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 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 1 0 0 0 9 15 1 0 0 0 0 15 16 1 1 0 0 0 17 16 1 1 0 0 0 7 17 1 0 0 0 0 15 17 1 0 0 0 0 M END > NP0263413 > NP-MRD > CC#CC#C\C=C1/O[C@]2(OC=C[C@H]2O)[C@H]2O[C@@H]12 > InChI=1S/C13H10O4/c1-2-3-4-5-6-9-11-12(16-11)13(17-9)10(14)7-8-15-13/h6-8,10-12,14H,1H3/b9-6-/t10-,11+,12+,13+/m1/s1 > KDIQIPYZEGXJKP-BZGBWYFTSA-N > C13H10O4 > 230.219 > 230.057908802 > 4 > 27 > 23.355670820546692 > 1 > 1 > 0 > 1 > (1S,2S,3'R,4Z,5R)-4-(hexa-2,4-diyn-1-ylidene)-3'H-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-furan]-3'-ol > 1.4205768826666667 > 0 > 3 > 0 > 12.659483909380818 > -3.82254173803683 > 51.22 > 61.75170000000002 > 2 > 1 > (1S,2S,3'R,4Z,5R)-4-(hexa-2,4-diyn-1-ylidene)-3'H-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-furan]-3'-ol > 0 > NP0263413 > (1s,2s,3'r,4z,5r)-4-(hexa-2,4-diyn-1-ylidene)-3'h-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-furan]-3'-ol $$$$