Mrv1652309092221472D 18 20 0 0 1 0 999 V2000 4.8336 1.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 0.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 0.5118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6202 -0.2176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1815 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 -1.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -2.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 -0.1562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2727 0.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4685 0.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 0.9812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5278 1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 0.5424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6532 1.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -0.0762 0.0000 C 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 5 16 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 1 0 0 0 6 18 1 1 0 0 0 2 18 1 0 0 0 0 M END > NP0289549 > NP-MRD > C[C@]12[C@H](O)C(=O)[C@H]1C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 > InChI=1S/C15H20O3/c1-14(2)5-8-4-9(7-16)11-12(17)13(18)15(11,3)10(8)6-14/h4,7-8,10-11,13,18H,5-6H2,1-3H3/t8-,10+,11-,13-,15-/m1/s1 > LBCMHKJZRUVMJR-ICGCPXGVSA-N > C15H20O3 > 248.322 > 248.141244504 > 3 > 38 > 27.21258247760167 > 1 > 1 > 0 > 1 > (1S,2aR,4aS,7aS,7bR)-1-hydroxy-6,6,7b-trimethyl-2-oxo-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]indene-3-carbaldehyde > 1.4958255290000007 > 0 > 3 > 0 > 13.951382966765632 > 9.092897521400882 > -3.668737023646501 > 54.370000000000005 > 68.4917 > 1 > 1 > (1S,2aR,4aS,7aS,7bR)-1-hydroxy-6,6,7b-trimethyl-2-oxo-1H,2aH,4aH,5H,7H,7aH-cyclobuta[e]indene-3-carbaldehyde > 0 > NP0289549 > (1s,2ar,4as,7as,7br)-1-hydroxy-6,6,7b-trimethyl-2-oxo-1h,2ah,4ah,5h,7h,7ah-cyclobuta[e]indene-3-carbaldehyde $$$$