Mrv1652309112211062D 19 19 0 0 1 0 999 V2000 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 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 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 2 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > NP0312376 > NP-MRD > C\C(CO)=C/C(=O)O[C@@H]1C=CC(C)(C)C(C)=C1C=O > InChI=1S/C15H20O4/c1-10(8-16)7-14(18)19-13-5-6-15(3,4)11(2)12(13)9-17/h5-7,9,13,16H,8H2,1-4H3/b10-7+/t13-/m1/s1 > BPLZKDZRFJFGCI-UTSBKAFOSA-N > C15H20O4 > 264.321 > 264.136159124 > 3 > 39 > 27.804485128407638 > 1 > 1 > 0 > 1 > (1R)-2-formyl-3,4,4-trimethylcyclohexa-2,5-dien-1-yl (2E)-4-hydroxy-3-methylbut-2-enoate > 1.7555070363333336 > 0 > 1 > 0 > 19.897543570073505 > 15.099015256928624 > -2.755487705653543 > 63.60000000000001 > 75.1096 > 5 > 1 > (1R)-2-formyl-3,4,4-trimethylcyclohexa-2,5-dien-1-yl (2E)-4-hydroxy-3-methylbut-2-enoate > 0 > NP0312376 > (1r)-2-formyl-3,4,4-trimethylcyclohexa-2,5-dien-1-yl (2e)-4-hydroxy-3-methylbut-2-enoate $$$$