HMDB0040691 RDKit 3D 3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiol 59 61 0 0 0 0 0 0 0 0999 V2000 -3.4757 3.2046 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4163 3.1667 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2675 2.2318 1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 2.2598 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 1.2188 1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 0.3726 2.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 1.1797 0.4179 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 0.2386 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 -0.6491 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 -0.3795 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -1.0633 -3.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 -2.0391 -3.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4056 -2.3230 -2.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -3.2920 -2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -3.5495 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -2.8237 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1239 -3.0368 0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 -1.9053 -0.2875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 -1.6331 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 0.6109 -1.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0607 0.8212 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 0.2055 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2522 -1.2374 0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 0.1867 2.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 0.7877 0.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 0.4152 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5232 -0.4657 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9289 0.9923 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6944 0.1062 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 -1.2574 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0537 0.7666 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 3.4151 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 2.2947 -1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7542 4.0586 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 3.9173 0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1885 1.2718 3.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0024 3.0181 3.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2856 2.3581 2.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 -0.4259 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 -0.8630 -3.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4768 -2.5983 -4.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 -3.8364 -3.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -4.3087 -1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 1.9337 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -1.7062 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 -1.3016 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9598 -1.8487 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 0.8396 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -0.8516 2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 0.5269 2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5324 1.0359 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8637 2.0001 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 0.0482 -1.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8544 -1.2384 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0944 -1.7038 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -1.9410 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6879 0.1422 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5614 0.8855 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 1.7681 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 10 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 21 8 1 0 19 9 1 0 19 13 2 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 4 36 1 0 4 37 1 0 4 38 1 0 8 39 1 0 11 40 1 0 12 41 1 0 14 42 1 0 15 43 1 0 21 44 1 0 23 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 28 51 1 0 28 52 1 0 29 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 31 57 1 0 31 58 1 0 31 59 1 0 M END