HMDB0037476 RDKit 3D Neocarthamin 54 57 0 0 0 0 0 0 0 0999 V2000 0.1463 -0.8122 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -0.2313 1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -0.8892 0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 0.1022 0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 -0.3178 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 -0.0728 -0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 -0.4895 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0458 -1.1453 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2823 -1.5776 -1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7624 -1.4044 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 -0.9774 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 1.4074 0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 1.9166 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4969 3.1947 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 3.6857 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 4.9677 -0.6684 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 2.8828 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 3.4029 -0.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.6006 0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 0.7467 0.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -0.0893 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 0.3866 -0.5181 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4549 0.0400 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 0.9022 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 0.5388 1.4289 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8101 -1.4089 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 -2.0495 1.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -2.0914 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6984 -3.4477 -0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 -1.5285 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 -2.3161 -0.4112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 1.1292 0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -1.3077 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4482 -1.7622 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 0.1451 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 0.4431 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 -0.2833 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2772 -2.5267 -1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4914 -1.9238 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 -1.1773 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3812 3.8145 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 5.4153 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 2.8862 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 0.0861 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9965 0.1852 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4318 1.9656 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1564 0.7908 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1363 0.2821 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7632 -1.5660 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8372 -2.3250 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 -1.8175 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -3.8458 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -1.6248 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 -1.9091 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 4 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 17 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 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 19 32 2 0 32 2 1 0 11 5 1 0 32 13 1 0 30 21 1 0 3 33 1 0 3 34 1 0 4 35 1 0 6 36 1 0 7 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 14 41 1 0 16 42 1 0 18 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 28 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 M END