Mrv1652309092212532D 25 26 0 0 0 0 999 V2000 9.0681 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 4.0668 0.6979 0.0000 O 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 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 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 2.6378 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 N 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 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 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 3 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 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 11 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 15 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0283575 > NP-MRD > COC(=O)CC=C(C)CCC1=C(O)C=C2C(=O)N(CCO)CC2=C1O > InChI=1S/C18H23NO6/c1-11(4-6-16(22)25-2)3-5-12-15(21)9-13-14(17(12)23)10-19(7-8-20)18(13)24/h4,9,20-21,23H,3,5-8,10H2,1-2H3 > KGNZYULDBJKXGC-UHFFFAOYSA-N > C18H23NO6 > 349.383 > 349.152537465 > 5 > 48 > 37.371383661068755 > 1 > 3 > 0 > 1 > methyl 6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl]-4-methylhex-3-enoate > 1.1685895079999993 > 0 > 2 > 0 > 10.106655239585486 > 8.720197205792985 > -1.5981948648721067 > 107.30000000000001 > 93.61779999999997 > 8 > 1 > methyl 6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-3H-isoindol-5-yl]-4-methylhex-3-enoate > 0 > NP0283575 > methyl 6-[4,6-dihydroxy-2-(2-hydroxyethyl)-1-oxo-3h-isoindol-5-yl]-4-methylhex-3-enoate $$$$