Mrv2104 05272302322D 18 19 0 0 0 0 999 V2000 3.4862 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 -1.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -2.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -3.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -2.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 -1.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 -0.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1717 -0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9842 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2663 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 -1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -1.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -0.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 2 9 1 0 0 0 0 1 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 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 1 18 2 0 0 0 0 M END > NP0339877 > NP-MRD > OC1(C=CCCC1=O)C(=O)OCC1=CC=CC=C1 > InChI=1/C14H14O4/c15-12-8-4-5-9-14(12,17)13(16)18-10-11-6-2-1-3-7-11/h1-3,5-7,9,17H,4,8,10H2 > ILTCAPLRBIEGDX-UHFFFAOYNA-N > C14H14O4 > 246.262 > 246.089208931 > 3 > 32 > 25.256898686846426 > 1 > 1 > 0 > 1 > benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate > 2.139800995666666 > 0 > 2 > 0 > 19.912058381872146 > 10.323345771479818 > -4.844368559427744 > 63.6 > 66.28340000000001 > 4 > 1 > benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate > 0 > NP0339877 > benzyl-6-hydroxy-2-cyclohexene-on-oyl $$$$