9 9 0 0000 0 0 0 0 0999 V2000 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3791 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5924 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5924 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3791 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.8058 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.8058 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.8058 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 1 6 1 0 5 7 1 0 4 8 1 0 8 9 1 0 M END > InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i1D3,2D,3D,4D,5D > LHGVFZTZFXWLCP-AAYPNNLASA-N > 1/1/N:9,1,2,6,3,5,4,7,8/rA:16nCCCCCCOOCH.i2H.i2H.i2H.i2H.i2H.i2H.i2/rB:d1;s2;d3;s4;s1d5;s5;s4;s8;s9;s9;s9;s6;s1;s2;s3;/rC:1.2124,4.9,0;1.2124,3.5,0;2.3791,2.8,0;3.5924,3.5,0;3.5924,4.9,0;2.3791,5.6,0;4.8058,5.6,0;4.8058,2.8,0;4.8058,1.4,0;3.8258,.42,0;5.7858,.42,0;4.8058,0,0;2.3791,7,0;0,5.6,0;0,2.8,0;2.3791,1.4,0; > C7 H8 O2 > 131.1804 > C1([2H])C([2H])=C(O)C(OC([2H])([2H])[2H])=C([2H])C=1[2H] > 24533411 $$$$