16738612 -OEChem-03282409522D 42 42 0 1 0 0 0 0 0999 V2000 3.7320 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 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 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 22 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 M END > 16738612 > 1 > 394 > 5 > 1 > 10 > AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADQSgmAIyDoAABgCIAijSiAACAAAgIAAIiAEGCMgIJjKCERKCcAAkwBEImYeIxqAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 2-(4-hydroxyphenyl)ethyl (Z,3R)-4-formyl-3-(2-oxoethyl)hex-4-enoate > (Z,3R)-4-formyl-3-(2-oxoethyl)-4-hexenoic acid 2-(4-hydroxyphenyl)ethyl ester > 2-(4-hydroxyphenyl)ethyl (Z,3R)-4-formyl-3-(2-oxoethyl)hex-4-enoate > 2-(4-hydroxyphenyl)ethyl (Z,3R)-4-formyl-3-(2-oxoethyl)hex-4-enoate > 2-(4-hydroxyphenyl)ethyl (Z,3R)-4-methanoyl-3-(2-oxidanylideneethyl)hex-4-enoate > (Z,3R)-4-formyl-3-(2-ketoethyl)hex-4-enoic acid 2-(4-hydroxyphenyl)ethyl ester > InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2+/t15-/m1/s1 > VPOVFCBNUOUZGG-FOGCTLQKSA-N > 1.5 > 304.13107373 > C17H20O5 > 304.34 > CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O > C/C=C(\C=O)/[C@H](CC=O)CC(=O)OCCC1=CC=C(C=C1)O > 80.7 > 304.13107373 > 0 > 22 > 1 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 15 18 8 15 19 8 18 20 8 19 21 8 20 22 8 21 22 8 6 7 6 $$$$