Mrv1652309122217162D 25 25 0 0 1 0 999 V2000 -6.5704 7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 6.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 3.3809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8724 4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4599 3.3809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7454 2.9684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0309 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0309 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3164 2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 4.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 3.3809 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 2 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 6 0 0 0 12 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > NP0330181 > NP-MRD > CCCCC\C=C/C[C@@H]1O[C@H]1[C@H](O)\C=C/C\C=C/CCCC(=O)OC > InChI=1S/C21H34O4/c1-3-4-5-6-10-13-16-19-21(25-19)18(22)15-12-9-7-8-11-14-17-20(23)24-2/h7-8,10,12-13,15,18-19,21-22H,3-6,9,11,14,16-17H2,1-2H3/b8-7-,13-10-,15-12-/t18-,19+,21+/m1/s1 > PCSYHGQVLFQXBT-ZKOZPKCDSA-N > C21H34O4 > 350.499 > 350.245709575 > 3 > 59 > 41.62127031488467 > 1 > 1 > 0 > 1 > methyl (5Z,8Z,10R)-10-hydroxy-10-[(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl]deca-5,8-dienoate > 4.8760718149999995 > 0 > 1 > 0 > 13.747890204510316 > -3.3464728245471864 > 59.06 > 104.3349 > 15 > 1 > methyl (5Z,8Z,10R)-10-hydroxy-10-[(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl]deca-5,8-dienoate > 0 > NP0330181 > methyl (5z,8z,10r)-10-hydroxy-10-[(2s,3s)-3-[(2z)-oct-2-en-1-yl]oxiran-2-yl]deca-5,8-dienoate $$$$