Mrv1652304282211212D 23 24 0 0 1 0 999 V2000 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 2.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 3.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 0.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 C 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 1 6 1 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 4 9 1 1 0 0 0 8 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 12 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 19 20 1 0 0 0 0 19 21 1 0 0 0 0 7 22 1 6 0 0 0 2 23 1 0 0 0 0 M END > NP0065078 > NP-MRD > C[C@H]1[C@H](C\C=C(/CCC=C(C)C)C(O)=O)O[C@@H]2C=C(C)CC[C@H]12 > InChI=1S/C20H30O3/c1-13(2)6-5-7-16(20(21)22)9-11-18-15(4)17-10-8-14(3)12-19(17)23-18/h6,9,12,15,17-19H,5,7-8,10-11H2,1-4H3,(H,21,22)/b16-9+/t15-,17-,18+,19-/m1/s1 > VSUMTMMRZTVYBL-LAHGPTJYSA-N > C20H30O3 > 318.457 > 318.219494826 > 3 > 53 > 37.537896900372154 > 1 > 1 > 0 > 1 > (2E)-2-{2-[(2S,3R,3aR,7aS)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-yl]ethylidene}-6-methylhept-5-enoic acid > 4.61 > 4.77866105 > -4.16 > 0 > 2 > -1 > 4.853944950887558 > -4.199917984775939 > 46.53 > 95.54610000000001 > 6 > 1 > 2.20e-02 g/l > (2E)-2-{2-[(2S,3R,3aR,7aS)-3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-yl]ethylidene}-6-methylhept-5-enoic acid > 0 > NP0065078 > 2-[2-(2,3,3a,4,5,7a-Hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-5-heptenoic acid $$$$