HMDB0000760 RDKit 3D Hyocholic acid 69 72 0 0 0 0 0 0 0 0999 V2000 3.5952 0.2066 -1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 0.2169 0.1202 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0954 -0.1016 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2106 0.7896 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 0.9415 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0911 1.9251 -1.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2245 -0.0348 -1.8327 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -0.5733 0.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 -2.0313 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -2.3899 0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5017 -1.1717 0.1749 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9134 -0.9650 0.5703 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8350 -2.0985 0.2587 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2394 -3.1499 -0.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0474 -1.7044 -0.5608 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7443 -1.6385 -1.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7345 -0.4872 -0.0369 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8616 -0.1537 -0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 1.0809 -0.5518 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5943 1.3204 -1.5186 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 2.2108 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2045 1.7710 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 0.6673 0.1843 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9463 1.2194 1.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3545 0.3004 -0.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4906 1.4712 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9908 1.1845 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 -0.0598 0.8690 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8430 0.0830 2.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5196 -0.2640 -1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 1.2114 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 -0.4650 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5907 1.3320 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 -0.1036 1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3776 -1.1675 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1528 0.3746 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.7997 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7713 0.2310 -2.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0772 -0.6049 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 -2.1685 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 -2.6710 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9418 -2.6140 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -3.3154 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 -1.0614 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 -0.7475 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2487 -2.5611 1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6454 -4.0335 -0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -2.5576 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -2.5878 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -0.7642 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5914 -1.0036 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 -0.1059 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0529 0.8743 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5237 2.2056 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6203 2.6366 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8578 3.0141 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 1.4468 -1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 2.7138 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 1.1581 1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 2.3009 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3421 0.6885 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 0.0848 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 2.0307 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 2.2164 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 2.0731 0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 1.1400 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0434 0.8147 2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 0.5164 2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6799 -0.8960 2.8029 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 2 0 5 7 1 0 2 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 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 1 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 1 28 8 1 0 28 11 1 0 25 12 1 0 23 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 1 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 7 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 6 12 45 1 1 13 46 1 1 14 47 1 0 15 48 1 6 16 49 1 0 17 50 1 1 18 51 1 0 18 52 1 0 19 53 1 1 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 24 59 1 0 24 60 1 0 24 61 1 0 25 62 1 6 26 63 1 0 26 64 1 0 27 65 1 0 27 66 1 0 29 67 1 0 29 68 1 0 29 69 1 0 M END