Mrv1652309072217352D 27 28 0 0 0 0 999 V2000 -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 O 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 -4.4098 -1.6408 0.0000 C 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 -4.4098 -2.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -2.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -1.2283 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 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 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 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 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 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 24 26 1 0 0 0 0 26 27 1 0 0 0 0 17 27 1 0 0 0 0 M END > NP0252166 > NP-MRD > CO\C=C(\C(\C)=C/C=C\C1=CC=C2OCC(O)C(C)(C)OC2=C1)/C(=O)OC > InChI=1S/C21H26O6/c1-14(16(12-24-4)20(23)25-5)7-6-8-15-9-10-17-18(11-15)27-21(2,3)19(22)13-26-17/h6-12,19,22H,13H2,1-5H3/b8-6-,14-7-,16-12- > SMLIFVAKZCGFSF-NAHXVELFSA-N > C21H26O6 > 374.433 > 374.172938557 > 5 > 53 > 40.20866230222684 > 1 > 1 > 0 > 1 > methyl (2Z,3Z,5Z)-6-(3-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate > 2.924385957000001 > 0 > 2 > 0 > 13.208133915019722 > -3.5825622255703724 > 74.22000000000001 > 104.1376 > 6 > 1 > methyl (2Z,3Z,5Z)-6-(3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate > 0 > NP0252166 > methyl (2z,3z,5z)-6-(3-hydroxy-4,4-dimethyl-2,3-dihydro-1,5-benzodioxepin-7-yl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate $$$$