HMDB0260206 RDKit 3D (S)-3-(4-Methoxyphenyl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-1-oxo-3-phenylprop... 82 85 0 0 0 0 0 0 0 0999 V2000 2.2462 7.2118 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 6.8754 -0.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 5.7305 -0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 4.8113 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 3.6713 -2.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 3.4026 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 2.1409 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 1.1306 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 0.8977 -0.8043 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 1.1549 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 1.6084 1.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 0.8693 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 1.8175 -1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 1.0997 0.1126 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8615 0.0716 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -1.0202 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 0.2642 1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 -0.9453 1.1615 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 -0.6772 1.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9029 -1.8674 2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1470 -3.0373 2.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8391 -2.7285 2.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1565 -2.0782 1.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -0.1327 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2739 -1.2596 -0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 -0.1135 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9479 -1.4102 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8057 -1.3176 1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6099 -2.5164 1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 -3.5941 2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7732 -4.7471 2.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1057 -4.8731 2.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6417 -3.7794 1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9328 -2.6282 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7096 -1.5504 -1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 -0.5523 -1.8517 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2728 -2.8235 -1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4883 -2.7164 -2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2813 -3.8200 -2.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1066 -4.0207 -1.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 4.2685 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 5.4208 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 7.8852 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 6.3160 -2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 7.6668 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 4.9973 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1017 2.9919 -2.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 1.8678 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 2.3105 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 1.5785 0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 0.5119 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 -0.1586 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 2.8553 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1887 1.5591 -2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 1.6766 -2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 2.0211 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8134 0.6066 2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 1.0595 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 0.1216 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7141 -0.2560 2.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5645 -1.6594 3.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -2.0142 1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7918 -2.1471 3.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 -3.7031 2.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 -2.8201 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0794 -1.8664 1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7617 0.7441 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 -2.1890 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4455 -0.4030 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 -1.2145 2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -3.5292 2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3533 -5.6108 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6316 -5.7759 2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6909 -3.8841 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 -1.7890 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9786 -1.7405 -2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1407 -2.8824 -3.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2169 -3.5516 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4515 -4.3188 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1935 -3.7491 -1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 4.1114 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 6.1435 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 8 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 27 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 6 41 1 0 41 42 2 0 42 3 1 0 23 18 1 0 34 29 1 0 40 37 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 5 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 9 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 17 57 1 0 17 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 22 63 1 0 22 64 1 0 23 65 1 0 23 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 30 71 1 0 31 72 1 0 32 73 1 0 33 74 1 0 34 75 1 0 38 76 1 0 38 77 1 0 38 78 1 0 39 79 1 0 39 80 1 0 41 81 1 0 42 82 1 0 M END