Mrv1652309092201112D 13 14 0 0 1 0 999 V2000 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 5 13 1 0 0 0 0 M END > NP0275445 > NP-MRD > C[C@H]1CC(=O)C2=CC(C)=CC=C2O1 > InChI=1S/C11H12O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-5,8H,6H2,1-2H3/t8-/m0/s1 > KMJGVNLHBBEOQD-QMMMGPOBSA-N > C11H12O2 > 176.215 > 176.083729626 > 2 > 25 > 19.107052719133137 > 1 > 0 > 0 > 1 > (2S)-2,6-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one > 2.241560242 > 0 > 2 > 0 > 14.759220811290945 > -4.895244355154025 > 26.3 > 50.524300000000004 > 0 > 1 > (2S)-2,6-dimethyl-2,3-dihydro-1-benzopyran-4-one > 1 > NP0275445 > (2s)-2,6-dimethyl-2,3-dihydro-1-benzopyran-4-one $$$$