Mrv1652309022219262D 21 21 0 0 1 0 999 V2000 2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 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 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 0.7145 -0.4125 0.0000 C 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 -0.7145 -0.4125 0.0000 O 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 -0.7145 2.0625 0.0000 O 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 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > NP0159643 > NP-MRD > C[C@H](OC(C)=O)C1=CC=CC(O)=C1C(=O)CCC=C(C)C > InChI=1S/C17H22O4/c1-11(2)7-5-9-15(19)17-14(8-6-10-16(17)20)12(3)21-13(4)18/h6-8,10,12,20H,5,9H2,1-4H3/t12-/m0/s1 > UHFBXPBYRWHYTC-LBPRGKRZSA-N > C17H22O4 > 290.359 > 290.151809188 > 3 > 43 > 31.943346830797896 > 1 > 1 > 0 > 1 > (1S)-1-[3-hydroxy-2-(5-methylhex-4-enoyl)phenyl]ethyl acetate > 3.13 > 3.8833601376666667 > -3.81 > 0 > 1 > 0 > 17.419751280941718 > 8.994453003450381 > -5.208699071500004 > 63.6 > 82.6564 > 7 > 1 > 4.48e-02 g/l > (1S)-1-[3-hydroxy-2-(5-methylhex-4-enoyl)phenyl]ethyl acetate > 0 > NP0159643 > (1s)-1-[3-hydroxy-2-(5-methylhex-4-enoyl)phenyl]ethyl acetate $$$$