HMDB0035943 RDKit 3D Cyclopassifloic acid A 90 94 0 0 0 0 0 0 0 0999 V2000 3.1490 -1.9610 1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -0.8084 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 0.4142 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 1.4568 0.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 0.1823 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 1.3809 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 2.3281 -0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 2.0179 1.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5397 3.1300 1.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 1.0212 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6290 2.1709 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4644 0.3777 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3926 -0.9179 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7806 -1.3157 -1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 -1.0987 -1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 -1.5173 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1669 -2.8317 -1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -0.6136 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 0.8491 -0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8834 1.4863 -1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 1.0937 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3603 1.2527 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5828 0.4848 -2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6289 2.7019 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 3.2209 -0.3708 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8379 3.5416 -1.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 0.7086 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6248 -0.6102 -0.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 0.8110 1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 -0.0962 1.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 -1.3030 2.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8848 -0.2083 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 -1.5245 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -1.0313 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0277 -1.4885 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5603 -1.2358 1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 -1.7553 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -3.2063 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -2.6195 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 -1.5502 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -2.5036 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 -0.5572 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4705 0.7342 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 1.8956 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 -0.3398 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1018 -0.5312 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2479 2.4974 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3321 1.3532 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8317 2.4168 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 3.9762 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 0.2524 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 3.1262 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2936 1.9794 -1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3593 2.2874 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 0.9981 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 -0.6610 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.2192 -2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 0.1329 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 -2.3795 -1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4987 -0.7195 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4176 -0.0515 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -1.6778 -2.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -2.4919 -2.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4061 -3.5603 -1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0486 -3.1603 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2812 -0.7370 -1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 1.2369 0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 1.3072 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6697 2.5955 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 1.2256 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 1.8928 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7077 0.1840 -2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1883 1.1461 -2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2357 -0.4109 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 4.3335 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2709 1.2737 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5772 -0.7997 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5116 1.8670 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5657 0.5047 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8677 0.4238 2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7957 -1.5129 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1836 -1.7066 -1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 -2.3873 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -2.5989 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -1.0620 2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2847 -0.1971 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 -1.8427 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -3.7549 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 -3.6551 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4782 -3.4980 1.6302 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 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 6 10 1 0 10 11 1 0 10 12 1 0 2 13 1 0 13 14 1 0 14 15 1 0 15 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 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 13 1 0 37 16 1 0 34 18 1 0 32 21 1 0 34 32 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 17 63 1 0 17 64 1 0 17 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 21 71 1 0 23 72 1 0 23 73 1 0 23 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 33 82 1 0 33 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 38 88 1 0 38 89 1 0 38 90 1 0 M END