Mrv1652309092222072D 19 19 0 0 1 0 999 V2000 0.0000 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8250 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 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 1.4289 0.8250 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 2.1434 -0.4125 0.0000 O 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 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > NP0289777 > NP-MRD > CC(C)=CCC[C@@](C)(O)CCC1=CC(O)=CC=C1O > InChI=1S/C16H24O3/c1-12(2)5-4-9-16(3,19)10-8-13-11-14(17)6-7-15(13)18/h5-7,11,17-19H,4,8-10H2,1-3H3/t16-/m1/s1 > YCQASRKFQYMOAM-MRXNPFEDSA-N > C16H24O3 > 264.365 > 264.172544633 > 3 > 43 > 30.613645910687268 > 1 > 3 > 0 > 1 > 2-[(3R)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]benzene-1,4-diol > 3.7668149733333327 > 0 > 1 > 0 > 11.73063284323708 > 9.85646915547455 > -2.781614948889425 > 60.69 > 78.9743 > 6 > 1 > 2-[(3R)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]benzene-1,4-diol > 0 > NP0289777 > 2-[(3r)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]benzene-1,4-diol $$$$