Mrv0541 08131209212D 13 15 0 0 0 0 999 V2000 4.5629 0.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0711 1.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -0.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2516 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.8857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1042 0.2232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2846 0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 1.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 -0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 11 10 1 0 0 0 0 9 12 1 6 0 0 0 10 13 1 6 0 0 0 M END > M2MDB000850 > M2MDB > [H][C@@]12O[C@]1([H])C1=CC=CC=C1C=C2 > InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m0/s1 > XQIJIALOJPIKGX-VHSXEESVSA-N > C10H8O > 144.1699 > 144.057514878 > 1 > 15.25713702945281 > 1 > 0 > 0 > 0 > (1aR,7aS)-1aH,7aH-naphtho[1,2-b]oxirene > 1.89 > 2.158174723666667 > -2.71 > 0 > 3 > 0 > -4.267009378937977 > 12.53 > 43.86970000000001 > 0 > 1 > 2.81e-01 g/l > (1aR,7aS)-1aH,7aH-naphtho[1,2-b]oxirene > 1 > ECMDB20001 > (1R,2S)-Naphthalene 1,2-oxide $$$$