HMDB0013654 RDKit 3D Palmitoyl Serinol 62 61 0 0 0 0 0 0 0 0999 V2000 -4.5721 0.5142 -3.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9365 0.5903 -2.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9677 0.2482 -1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4801 -1.1315 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 -1.4430 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6975 -0.5460 1.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 -0.5802 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -1.9429 1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 -1.9261 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 -1.0034 1.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 -1.0333 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -0.6217 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 0.7401 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4129 1.8496 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 2.1490 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 1.2412 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 0.3434 1.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 1.3847 -0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 0.5165 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 1.3421 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8879 1.9583 1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 -0.2562 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7284 -1.0944 -0.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -0.5291 -3.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 1.0337 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 1.0548 -2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 -0.1634 -3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3468 1.5957 -2.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0033 0.3475 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3739 1.0259 -0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1445 -1.8547 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -1.2717 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5848 -1.3257 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2506 -2.4884 0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0043 0.5264 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -0.7998 2.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 -0.1489 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 0.1280 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -2.2903 2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 -2.7006 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 -2.9320 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 -1.5066 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 -1.2944 2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 0.0251 1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 -2.0540 1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -0.3257 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6356 -1.3324 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 -0.7858 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 0.9427 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 0.7322 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3859 1.7036 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 2.7774 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 2.4023 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 3.1888 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 2.1159 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9626 -0.2168 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6057 2.1415 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 0.7076 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8223 1.3090 2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 -0.8308 -1.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9587 0.5021 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5543 -0.7078 -1.3368 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 18 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 M END