20230407 -OEChem-03282420572D 33 34 0 0 0 0 0 0 0999 V2000 6.0682 -2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8562 1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 1.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1988 0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4018 0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5543 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 -1.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9763 -0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -0.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 17 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 M END > 20230407 > 1 > 332 > 3 > 1 > 3 > AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASAmAAyDoAABgCIAiDSCAACCAAgIAAIiAEGCMgMJzKGMRqCeiClwBUIuQeA4KwOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > 3-ethyl-7-hydroxy-4-propyl-chromen-2-one > 3-ethyl-7-hydroxy-4-propyl-1-benzopyran-2-one > 3-ethyl-7-hydroxy-4-propylchromen-2-one > 3-ethyl-7-hydroxy-4-propylchromen-2-one > 3-ethyl-7-oxidanyl-4-propyl-chromen-2-one > 3-ethyl-7-hydroxy-4-propyl-coumarin > InChI=1S/C14H16O3/c1-3-5-11-10(4-2)14(16)17-13-8-9(15)6-7-12(11)13/h6-8,15H,3-5H2,1-2H3 > BUROQAUGURMKLW-UHFFFAOYSA-N > 3.3 > 232.109944368 > C14H16O3 > 232.27 > CCCC1=C(C(=O)OC2=C1C=CC(=C2)O)CC > CCCC1=C(C(=O)OC2=C1C=CC(=C2)O)CC > 46.5 > 232.109944368 > 0 > 17 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 10 8 1 11 8 10 14 8 12 16 8 14 17 8 16 17 8 4 6 8 4 7 8 6 11 8 7 10 8 7 12 8 $$$$