Mrv1652309112219242D 21 21 0 0 1 0 999 V2000 2.1257 2.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6371 1.1459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2780 0.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0483 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1778 1.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 0.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5863 -0.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 -1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 -1.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -1.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8895 -1.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4783 -1.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 -1.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -0.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2259 1.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.8507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7373 0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 1 0 0 0 M END > NP0317484 > NP-MRD > CC[C@@H]1OC(=O)CCCCCCC\C=C/C\C=C/C[C@@H]1O > InChI=1S/C18H30O3/c1-2-17-16(19)14-12-10-8-6-4-3-5-7-9-11-13-15-18(20)21-17/h4,6,10,12,16-17,19H,2-3,5,7-9,11,13-15H2,1H3/b6-4-,12-10-/t16-,17-/m0/s1 > FYQCXLILPFHHCJ-RKMSSTJHSA-N > C18H30O3 > 294.435 > 294.219494826 > 2 > 51 > 34.78516464715746 > 1 > 1 > 0 > 1 > (10Z,13Z,16S,17S)-17-ethyl-16-hydroxy-1-oxacycloheptadeca-10,13-dien-2-one > 4.624725784999999 > 0 > 1 > 0 > 14.118607854081862 > -3.1843209246245925 > 46.53 > 88.0576 > 1 > 1 > (10Z,13Z,16S,17S)-17-ethyl-16-hydroxy-1-oxacycloheptadeca-10,13-dien-2-one > 0 > NP0317484 > (10z,13z,16s,17s)-17-ethyl-16-hydroxy-1-oxacycloheptadeca-10,13-dien-2-one $$$$