HMDB0036075 RDKit 3D Limonexic acid 66 72 0 0 0 0 0 0 0 0999 V2000 -3.0696 2.6246 1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 1.1936 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 0.8716 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 1.2005 -0.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 -0.0456 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0846 -0.7817 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 -2.1277 -2.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9939 -2.6430 -3.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7404 -2.7402 -1.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -2.0895 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0278 -0.7149 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 0.2059 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 0.9727 1.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0934 0.2259 1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9738 0.5014 2.5416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 -0.9385 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 -2.1254 1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.8741 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 0.1977 -1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 0.6860 -1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1672 -0.4412 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 -1.6128 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5484 0.0380 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9049 1.3921 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 2.3546 -1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5596 3.5567 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 4.6811 -1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 3.2661 0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8989 1.9418 0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9231 1.2482 1.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -0.9382 -0.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 -2.0633 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -3.1453 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 -2.0108 0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -0.8132 1.6489 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8054 -0.9633 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 3.1832 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 2.6816 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4084 3.1571 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 1.5163 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 1.1411 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8526 -0.1654 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 0.0858 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -0.2606 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8410 -0.8469 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7109 -1.9947 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -2.7804 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -0.4048 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 1.9325 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4204 1.2630 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -2.0905 2.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7382 -1.9550 2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 -3.0943 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 -1.8730 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 1.1044 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 -0.0922 -2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 1.1830 -2.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 1.4507 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -1.8047 -2.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -2.5631 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 -1.4425 -2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -0.0230 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3993 2.3060 -2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 1.8372 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 1.4227 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -2.9631 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 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 2 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 23 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 12 2 1 0 36 16 1 0 11 5 1 0 36 21 1 0 18 11 1 0 29 24 1 0 36 34 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 10 46 1 0 10 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 17 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 25 63 1 0 29 64 1 0 30 65 1 0 34 66 1 0 M END