HMDB0242029 RDKit 3D N-Lauroyl Aspartic acid 51 50 0 0 0 0 0 0 0 0999 V2000 -5.1877 2.1367 1.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6268 1.1853 0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 0.4825 0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6795 -0.4485 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 -1.3103 -1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.7502 -2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 0.1051 -1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8781 -0.5426 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 -1.7895 -0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5088 -2.3856 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -1.4651 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -1.0734 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7722 -1.5942 -0.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 -0.1125 0.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6939 0.2825 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 1.7565 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 2.3551 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 3.6316 -1.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6030 1.7142 -1.6833 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 -0.0461 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7844 -0.5496 1.9659 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 0.1940 0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 1.4739 2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3116 2.7367 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0212 2.7720 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3126 0.4344 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9611 1.7351 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -0.1022 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 1.3143 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5021 -1.1112 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2402 0.1607 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 -1.9501 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3119 -2.1284 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -1.6085 -2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -0.2066 -3.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 1.1186 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 0.2420 -2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 -0.7509 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1766 0.2310 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -1.5352 -1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -2.5096 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -3.3892 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3313 -2.5697 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9307 -0.5408 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8321 -1.9880 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 0.3138 1.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 -0.2866 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 1.9239 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 2.2942 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8946 1.9842 -2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9979 0.1661 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 19 50 1 0 22 51 1 0 M END