5281078 -OEChem-05042417202D 62 64 0 0 0 0 0 0 0999 V2000 2.0000 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6542 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3812 1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 -0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8195 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6080 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 5 59 1 0 0 0 0 6 24 2 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > 5281078 > 1 > 646 > 8 > 1 > 10 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAEgBAAAAHgAACAAADAThmAYCDoMABgCIAiDSCAACCAAkIAAAiAEMCMgOJzaGNRqDcWAl4BWYuQfK7PzO4AADCAAYAADAAAYQADAAAAAAAAAAAA== > 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate > (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester > 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate > 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate > 2-morpholin-4-ylethyl (E)-6-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate > (E)-6-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoic acid 2-morpholinoethyl ester > InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+ > RTGDFNSFWBGLEC-SYZQJQIISA-N > 3.2 > 433.21005233 > C23H31NO7 > 433.5 > CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O > CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O > 94.5 > 433.21005233 > 0 > 31 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 15 19 8 15 20 8 16 20 8 17 19 8 $$$$