Mrv1533004161501412D 18 17 0 0 0 0 999 V2000 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 6.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 7.2039 0.0000 C 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 3 4 1 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 8 7 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 12 13 1 0 0 0 0 13 14 3 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 M END > HMDB0244256 > hmdb > CCCCCCCC=CCC#CC#CC(O)C=C > InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3 > UGJAEDFOKNAMQD-UHFFFAOYSA-N > C17H24O > 244.378 > 244.182715393 > 1 > 42 > 31.839629244915006 > 0 > 1 > 0 > 1 > heptadeca-1,9-dien-4,6-diyn-3-ol > 5.78 > 5.449993287000001 > -4.89 > 0 > 0 > 0 > 13.289410263002587 > -3.547011950962667 > 20.23 > 81.2642 > 11 > 0 > 3.18e-03 g/l > heptadeca-1,9-dien-4,6-diyn-3-ol > 0 > HMDB0244256 > 1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)- $$$$