70658734 -OEChem-03282413342D 35 36 0 0 0 0 0 0 0999 V2000 4.5981 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0600 0.0000 B 0 4 0 0 0 0 0 0 0 0 0 0 2.3291 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 35 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 2 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M RAD 1 19 2 M END > 70658734 > 1 > 305 > 2 > 1 > 4 > AAADceJ4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAgGgAACAAADACAmAAyCIAAAgCIAiDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIyPCOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > InChI=1S/C16H16BO2/c1-11-9-12(7-8-14(11)16(18)19)15-6-4-3-5-13(15)10-17-2/h3-9H,10H2,1-2H3,(H,18,19) > HZDIDXSOENACHM-UHFFFAOYSA-N > 251.1243349 > C16H16BO2 > 251.1 > [B](C)CC1=CC=CC=C1C2=CC(=C(C=C2)C(=O)O)C > [B](C)CC1=CC=CC=C1C2=CC(=C(C=C2)C(=O)O)C > 37.3 > 251.1243349 > 0 > 19 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 13 16 8 14 16 8 3 10 8 3 5 8 4 6 8 4 8 8 5 13 8 6 7 8 7 9 8 8 12 8 9 12 8 $$$$