Mrv1652309092222052D 28 29 0 0 0 0 999 V2000 -5.7158 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -10.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8432 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -9.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 4 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 20 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 23 28 1 0 0 0 0 M END > NP0289752 > NP-MRD > CC(=O)CCCCCCCCCCCCCCC=CC1=CC=C2OCOC2=C1 > InChI=1S/C25H38O3/c1-22(26)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23-18-19-24-25(20-23)28-21-27-24/h15,17-20H,2-14,16,21H2,1H3 > VKISCDZKKVVZQH-UHFFFAOYSA-N > C25H38O3 > 386.576 > 386.282095084 > 3 > 66 > 49.78323633151338 > 0 > 0 > 0 > 0 > 18-(2H-1,3-benzodioxol-5-yl)octadec-17-en-2-one > 7.953161413999998 > 0 > 2 > 0 > 19.64344776069631 > -4.739576612570894 > 35.53 > 116.8152 > 16 > 0 > 18-(2H-1,3-benzodioxol-5-yl)octadec-17-en-2-one > 0 > NP0289752 > 18-(2h-1,3-benzodioxol-5-yl)octadec-17-en-2-one $$$$