HMDB0036298 RDKit 3D Cyclopassifloic acid E 91 95 0 0 0 0 0 0 0 0999 V2000 -6.2545 0.8016 3.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -0.2309 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2417 -1.6192 2.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 0.1084 0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1216 -0.9272 -0.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4834 1.3622 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8667 1.0777 0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3357 0.3244 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 0.6641 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8962 -0.2061 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 -0.4090 -2.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 -1.5047 -0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5446 0.1719 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -0.5695 -2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 0.0243 -4.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -0.3804 -3.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7294 0.3912 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 1.8220 -2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 0.1666 -1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 1.5043 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8148 1.5394 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 0.2987 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 0.1669 1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7248 -1.1454 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9555 1.2380 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 2.1174 2.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2546 1.2665 2.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 0.1544 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0554 1.3455 -0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7666 -0.3393 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -1.2155 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 -2.4750 -0.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 -0.8587 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6939 -1.8846 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -0.6449 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 0.0846 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0817 0.3577 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 -0.2252 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -1.7076 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8947 0.4962 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5871 1.8209 2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2164 0.7573 3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6056 -0.1419 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8959 -1.8417 3.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1784 -1.7070 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5558 -2.3609 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -1.7649 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3331 1.5937 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 2.2367 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3726 1.3338 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3536 1.2370 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9684 -0.4575 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 1.6081 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4353 1.1727 0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 0.3538 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -0.4155 -3.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -1.4614 -2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -1.3805 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 1.2413 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2956 -1.6178 -2.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 0.9444 -3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 -1.2823 -3.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 0.2694 -3.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 2.4418 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 1.9960 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 2.2290 -2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.2103 -2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 2.1602 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2813 1.9149 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6122 2.3676 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8131 1.9185 -0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5325 0.3040 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7868 -1.7216 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5974 -1.7137 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9724 -0.9470 3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0028 0.6952 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 -0.5414 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 2.0215 0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5905 0.4540 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 -0.9900 -1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 -1.5006 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -2.7044 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 -2.7728 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 -2.1913 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 1.0255 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 -0.5255 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 1.4720 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -0.0323 1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -2.3090 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 -2.0866 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 -2.0324 0.2134 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 4 6 1 0 6 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 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 23 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 13 1 0 38 17 1 0 35 19 1 0 33 22 1 0 35 33 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 3 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 11 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 15 61 1 0 16 62 1 0 16 63 1 0 18 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 22 72 1 0 24 73 1 0 24 74 1 0 24 75 1 0 27 76 1 0 28 77 1 0 29 78 1 0 30 79 1 0 30 80 1 0 31 81 1 0 32 82 1 0 34 83 1 0 34 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 39 89 1 0 39 90 1 0 39 91 1 0 M END