Mrv1652309122216422D 26 25 0 0 1 0 999 V2000 -1.6717 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4717 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 10.4743 2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 3.9849 0.0000 O 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 2 0 0 0 0 0 0 0 0 0 12.6177 4.8099 0.0000 O 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 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > NP0329878 > NP-MRD > CCCCCC(=O)\C=C\C=C\CCCCCCCC(=O)OC[C@H](O)CO > InChI=1S/C21H36O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-21(25)26-18-20(24)17-22/h7,9,12,15,20,22,24H,2-6,8,10-11,13-14,16-18H2,1H3/b9-7+,15-12+/t20-/m1/s1 > BABFYBAGZXSUDH-XQMUNQBCSA-N > C21H36O5 > 368.514 > 368.256274259 > 4 > 62 > 44.55460762464921 > 1 > 2 > 0 > 1 > (2R)-2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate > 4.427861317333333 > 0 > 0 > 0 > 15.561713304317518 > 13.619245765321082 > -2.968684336972288 > 83.83000000000001 > 106.16079999999997 > 18 > 1 > (2R)-2,3-dihydroxypropyl (9E,11E)-13-oxooctadeca-9,11-dienoate > 0 > NP0329878 > (2r)-2,3-dihydroxypropyl (9e,11e)-13-oxooctadeca-9,11-dienoate $$$$