Mrv1652309052218152D 61 62 0 0 1 0 999 V2000 -0.7145 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -21.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -19.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -20.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -25.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -28.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -31.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0039 -30.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -32.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4328 -32.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -32.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -32.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8522 -32.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 -32.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2461 -22.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 -22.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -21.0375 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 2 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 8 9 1 0 0 0 0 9 10 2 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 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 6 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 48 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 25 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 21 61 1 0 0 0 0 M END > NP0216336 > NP-MRD > CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1 > InChI=1S/C58H84O3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-37-56(60)61-53-43-51(7)55(58(10,11)45-53)41-39-49(5)36-30-34-47(3)32-28-27-31-46(2)33-29-35-48(4)38-40-54-50(6)42-52(59)44-57(54,8)9/h13-14,16-17,19-20,27-36,38-42,52-54,59H,12,15,18,21-26,37,43-45H2,1-11H3/b14-13-,17-16-,20-19-,28-27+,33-29+,34-30+,40-38+,41-39+,46-31+,47-32+,48-35+,49-36+/t52-,53+,54-/m0/s1 > QDCQOKGGYSYLJF-XQYSTHMASA-N > C58H84O3 > 829.307 > 828.642046565 > 2 > 145 > 107.58608011292026 > 0 > 1 > 0 > 0 > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate > 15.274635592999996 > 0 > 2 > 0 > 18.21727233987641 > -1.391564107831658 > 46.53 > 281.2066 > 25 > 0 > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate > 0 > NP0216336 > (1r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1r,4r)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl (9z,12z,15z)-octadeca-9,12,15-trienoate $$$$