Mrv1652309072210352D 14 15 0 0 1 0 999 V2000 -0.0980 -1.0942 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 0.4323 -2.0127 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 1.4289 0.0000 0.0000 C 0 0 2 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 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 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 2.1434 -1.2375 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 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 M END > NP0246955 > NP-MRD > CC1(C)C[C@H](O)C2=CC(O)=CC=C2O1 > InChI=1S/C11H14O3/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,12-13H,6H2,1-2H3/t9-/m0/s1 > QAIKLSOPCIZDKK-VIFPVBQESA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.648350542583664 > 1 > 2 > 0 > 1 > (4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4,6-diol > 1.39001302 > 0 > 2 > 0 > 14.260959589147443 > 9.755448641396425 > -3.2007436020201574 > 49.69 > 52.941600000000015 > 0 > 1 > (4S)-2,2-dimethyl-3,4-dihydro-1-benzopyran-4,6-diol > 0 > NP0246955 > (4s)-2,2-dimethyl-3,4-dihydro-1-benzopyran-4,6-diol $$$$