Mrv1652309122216502D 34 35 0 0 0 0 999 V2000 -5.1243 2.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 1.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -1.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 -1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 0.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 -0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 -0.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8738 -2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 -2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -2.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 -1.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 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 4 9 1 0 0 0 0 9 10 1 4 0 0 0 9 11 2 0 0 0 0 12 11 1 4 0 0 0 12 13 2 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 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 17 32 1 0 0 0 0 11 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > NP0329952 > NP-MRD > COC=C(C(=O)OC)C(C)=C(OC)C=CC1=CC=C2OCC(OCC=C(C)C)C(C)(C)OC2=C1 > InChI=1S/C27H36O7/c1-18(2)13-14-32-25-17-33-23-12-10-20(15-24(23)34-27(25,4)5)9-11-22(30-7)19(3)21(16-29-6)26(28)31-8/h9-13,15-16,25H,14,17H2,1-8H3 > FCKHMZCSAWCZBY-UHFFFAOYSA-N > C27H36O7 > 472.578 > 472.246103499 > 6 > 70 > 53.00963846606622 > 1 > 0 > 0 > 0 > methyl 6-{4,4-dimethyl-3-[(3-methylbut-2-en-1-yl)oxy]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl}-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate > 4.370739040666666 > 0 > 2 > 0 > -3.9287684768961895 > 72.45000000000002 > 134.6505 > 10 > 1 > methyl 6-{4,4-dimethyl-3-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-1,5-benzodioxepin-7-yl}-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate > 0 > NP0329952 > methyl 6-{4,4-dimethyl-3-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-1,5-benzodioxepin-7-yl}-4-methoxy-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate $$$$