HMDB0033023 RDKit 3D 7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid 80 83 0 0 0 0 0 0 0 0999 V2000 8.1460 1.3581 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0526 -0.1017 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 -0.4750 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 -0.1600 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7008 0.3509 0.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -0.4768 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 -0.1129 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 -0.8853 1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 -0.2272 -0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -1.6149 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 -1.5605 -1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -2.4945 -1.8889 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3996 -0.2010 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 0.7341 -2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7918 -0.3118 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 0.1377 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.0995 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 0.5511 2.7654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 -0.5211 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 -1.8711 1.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 0.1866 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 1.6859 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5732 0.6265 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 0.9206 2.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7028 1.9226 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0955 2.3993 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1458 1.4280 0.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2932 1.8392 0.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9502 -0.0386 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7163 -0.6802 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5829 -0.5778 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 -0.3847 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1605 -0.4861 -1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 -0.9740 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3887 -0.8059 -2.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2532 -0.9575 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3296 -1.7233 1.4054 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4261 -0.9111 1.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9686 1.8789 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2056 1.8406 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1978 1.4882 1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9102 -0.3486 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8555 -1.5711 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 0.1064 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 -1.5719 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 0.0666 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 0.9767 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 -1.3632 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 -1.7833 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.3186 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 0.4017 -1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -1.7685 -2.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -2.4140 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 1.5858 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1523 0.1893 -3.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 1.2005 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7364 -0.4302 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -2.2189 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 2.2062 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 2.0617 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 1.9503 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 1.8684 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7495 0.1032 2.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9863 1.2041 2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 2.6949 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 1.8721 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 2.7138 -1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2975 3.3422 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5819 -1.7606 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5451 -0.1349 -1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8026 -0.5111 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1589 0.2057 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7987 -1.0498 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3212 -1.3895 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 -1.3902 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3043 0.4615 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8266 -1.2338 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7523 -2.0607 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 -1.6257 -3.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3294 -1.1609 1.4671 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 16 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 2 36 1 0 36 37 2 0 36 38 1 0 21 9 1 0 32 23 1 0 21 13 1 0 34 15 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 6 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 14 54 1 0 14 55 1 0 14 56 1 0 19 57 1 0 20 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 30 69 1 0 30 70 1 0 30 71 1 0 31 72 1 0 31 73 1 0 31 74 1 0 32 75 1 0 33 76 1 0 33 77 1 0 34 78 1 0 35 79 1 0 38 80 1 0 M END