HMDB0259386 RDKit 3D 1-Methyl ethyl 1-chloro-5-[[(5,6dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]a... 41 42 0 0 0 0 0 0 0 0999 V2000 3.8104 -0.1281 2.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 -0.5798 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -0.4051 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3956 0.1740 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 0.2950 -1.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 0.6188 0.6899 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 1.1846 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 2.2598 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 2.8114 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 2.2609 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 2.9969 -1.7256 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 1.1495 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4918 0.6666 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 1.4733 0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -0.4910 -0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 -0.7782 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 -0.3100 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 -2.2220 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 0.6255 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -0.9983 -1.6464 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 -0.9384 -1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 -1.4719 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6219 -1.1446 0.9977 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0598 -0.8132 2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -0.1478 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 0.9482 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4689 0.6130 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 2.6983 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 3.6715 -1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8519 -0.1351 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1516 -0.9031 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5769 -0.4615 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3571 0.7691 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 -2.4514 -0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0147 -2.8756 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7966 -2.5662 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -0.2401 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 -1.5649 -2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 0.1576 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -1.1442 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6051 -2.6037 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 12 19 2 0 3 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 2 1 0 19 7 1 0 1 24 1 0 1 25 1 0 1 26 1 0 6 27 1 0 8 28 1 0 9 29 1 0 16 30 1 0 17 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 21 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 M END