HMDB0244339 RDKit 3D L-(+)-Tuberculostearic acid 59 58 0 0 0 0 0 0 0 0999 V2000 6.8753 2.5064 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 1.2726 1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6854 0.3481 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 0.9285 -0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4323 1.4191 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 0.4116 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 -0.7488 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 -0.3090 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 -1.4373 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 -2.2637 -2.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -2.3212 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 -1.6057 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2227 -1.0709 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3997 -0.3321 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2035 -1.2210 0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3534 -0.5916 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4519 -0.0693 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 1.0518 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8294 2.2716 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 2.5484 0.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7295 3.1468 0.7677 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 2.3424 1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 3.2477 2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4951 2.9352 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 0.6929 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 1.5072 2.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 0.0515 0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3668 -0.5887 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 1.8218 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 0.2316 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7935 1.8921 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 2.2531 1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 0.9386 1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2598 0.0692 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -1.3791 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 -1.3658 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4626 0.3624 -0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 0.3633 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0456 -1.0126 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -1.6603 -2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -3.0884 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -2.7177 -3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 -2.8266 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -3.1402 -1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 -2.3360 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9282 -0.7655 0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 -0.3529 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 -1.8440 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 0.1287 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 0.4442 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 -1.7499 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 -2.0996 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7268 -1.2821 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 0.2644 1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2804 0.2232 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9625 -0.9103 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4233 1.3534 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8927 0.8854 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6944 3.1773 0.4515 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 9 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 M END