HMDB0032256 RDKit 3D (+-)-Ethyl 3-hydroxy-2-methylbutyrate 81 83 0 0 0 0 0 0 0 0999 V2000 -4.9409 0.1838 2.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -0.4845 1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2329 -0.1789 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 -0.1514 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 -0.4360 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -0.3315 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2513 0.0996 -2.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 0.4596 -2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 1.2877 -2.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 0.7112 -0.6561 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4362 1.5881 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 -0.6109 -0.6939 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0947 -1.1890 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -1.0206 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 0.3049 -0.3766 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4173 1.2235 0.4595 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5357 2.6202 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 0.6266 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5599 0.4554 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 -0.1606 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 0.4130 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3649 -0.2418 -0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9634 0.4590 0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1784 -1.6605 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 -2.3352 0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3237 -0.2211 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.2050 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6894 0.0254 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -0.1665 1.4947 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8392 -0.1350 1.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1366 -1.4693 2.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7124 -1.4881 2.7065 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7476 -1.0346 4.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 0.9324 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6576 0.0016 3.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 0.0957 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -0.7956 0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6445 -0.7951 -2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 0.9498 -2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1655 1.1296 -3.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 -0.4218 -3.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5637 2.2722 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 1.4262 -2.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5021 1.3638 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4282 2.6632 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 1.4330 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.2572 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -2.2633 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 -0.6268 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -1.8857 -0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -0.9911 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 0.0333 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9973 1.3161 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 2.9659 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8719 3.3240 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4017 2.6682 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 1.2305 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7354 -0.3770 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -0.2086 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7178 1.4222 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -1.1513 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0815 1.3871 -1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4805 0.2714 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6601 -2.2815 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -1.6196 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3515 -3.0092 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2819 -1.6141 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8215 -2.9807 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -0.8355 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2791 -0.6451 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8227 1.7154 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9803 1.7882 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 1.2063 -2.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9636 -0.7807 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8465 1.0347 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1407 0.6607 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0531 0.7203 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3246 -2.3431 1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8143 -1.5263 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3151 -2.4959 2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -1.4540 4.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 1 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 22 26 1 0 26 27 1 0 3 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 2 1 0 12 6 1 0 15 10 1 0 1 34 1 0 1 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 11 44 1 0 11 45 1 0 11 46 1 0 12 47 1 6 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 6 16 53 1 1 17 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 21 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 25 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 1 30 77 1 0 31 78 1 0 31 79 1 0 32 80 1 1 33 81 1 0 M END