Mrv1652309062221222D 17 17 0 0 1 0 999 V2000 0.9440 0.1576 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 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 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 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 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 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 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 2 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 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 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 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 11 15 1 0 0 0 0 15 16 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 6 0 0 0 M END > NP0236472 > NP-MRD > CC(=C)[C@H]1CC\C(C=O)=C/CCC(=C)[C@@H](O)C1 > InChI=1S/C15H22O2/c1-11(2)14-8-7-13(10-16)6-4-5-12(3)15(17)9-14/h6,10,14-15,17H,1,3-5,7-9H2,2H3/b13-6+/t14-,15-/m0/s1 > BXRKDZYURAWVMC-MXSUSHOISA-N > C15H22O2 > 234.339 > 234.161979948 > 2 > 39 > 26.80650353483805 > 1 > 1 > 0 > 1 > (1E,6S,8S)-6-hydroxy-5-methylidene-8-(prop-1-en-2-yl)cyclodec-1-ene-1-carbaldehyde > 2.7397258766666672 > 0 > 1 > 0 > 18.74828948037687 > -1.1589875884480314 > 37.3 > 71.51769999999998 > 2 > 1 > (1E,6S,8S)-6-hydroxy-5-methylidene-8-(prop-1-en-2-yl)cyclodec-1-ene-1-carbaldehyde > 1 > NP0236472 > (1e,6s,8s)-6-hydroxy-5-methylidene-8-(prop-1-en-2-yl)cyclodec-1-ene-1-carbaldehyde $$$$