Mrv0541 05061305432D 20 19 0 0 0 0 999 V2000 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3335 4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 3 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 M END > NP0329867 > NP-MRD > CCCCCCCCCCCCC#CCCCC(O)=O > InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-12,15-17H2,1H3,(H,19,20) > GDBJCCBRRCYCEG-UHFFFAOYSA-N > C18H32O2 > 280.4455 > 280.240230268 > 2 > 37.29793621765294 > 0 > 1 > 0 > 0 > octadec-5-ynoic acid > 6.93 > 6.730426772333334 > -5.59 > 0 > 0 > -1 > 4.559675983470112 > 37.3 > 85.64699999999998 > 15 > 0 > 7.28e-04 g/l > 5-octadecynoic acid > 0 > NP0329867 > 5-octadecynoic acid $$$$