HMDB0030925 RDKit 3D Melissic acid A 92 91 0 0 0 0 0 0 0 0999 V2000 11.9894 -0.5326 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 -0.6785 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5881 -0.0535 -1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8366 1.3770 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7612 2.2662 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0918 2.0771 0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3762 0.8164 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 0.4897 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 1.5000 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 1.1074 -0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5017 -0.2006 -0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7669 -0.3283 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 0.6908 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 0.5000 2.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 1.4751 2.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2103 1.3652 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 -0.0059 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -0.1215 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.5679 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 -1.8055 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 -3.2525 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4539 -3.5424 0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6585 -2.7242 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7858 -3.0157 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0163 -2.2501 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7849 -0.7736 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4244 -0.3776 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1738 1.1133 -1.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4065 1.8706 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1876 3.3439 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0933 3.8216 -1.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2304 4.1800 -0.5344 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4663 0.4675 -0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 -0.7888 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7935 -1.2617 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2451 -0.2098 -2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7536 -1.7565 -1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2566 -0.6911 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8753 -0.2036 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2235 1.8192 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7193 1.5038 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9883 2.3058 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1975 3.3300 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 2.9876 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9334 2.1018 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 0.9686 2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 -0.0142 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7372 0.3768 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 -0.4969 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5497 2.5197 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 1.5965 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 1.9410 -1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 1.0155 -1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2567 -1.0106 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 -0.3781 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 -0.3123 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -1.3257 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1162 1.7023 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 0.6118 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -0.5327 2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 0.5598 2.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 2.5309 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 1.3403 3.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 1.6357 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 2.0617 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 -0.7662 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 -0.2927 2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 0.0135 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 0.6065 0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 -2.2085 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -1.7219 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 -1.6606 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2966 -1.0963 -0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 -3.4606 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -3.8536 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -3.5020 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7906 -4.6179 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9337 -2.9692 2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3833 -1.6488 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4585 -2.8107 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0204 -4.1247 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3712 -2.5506 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8503 -2.5267 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7525 -0.2919 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 -0.5135 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 -0.6639 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5226 -0.8733 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2599 1.4301 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0354 1.2895 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6632 1.6973 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2218 1.6096 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5440 4.3487 0.4237 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 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 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 32 92 1 0 M END