HMDB0035945 RDKit 3D Cyclopassifloic acid C 90 94 0 0 0 0 0 0 0 0999 V2000 7.9004 0.4256 -1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 1.0636 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2452 2.5538 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2543 0.3855 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0357 1.1434 1.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 -1.0056 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 -1.6191 1.7054 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 0.5424 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8619 -0.1109 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 0.0840 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3911 1.5794 -0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 -0.4306 -1.8614 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -0.6967 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 -0.3017 1.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -1.4167 1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 -1.4003 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 -2.8482 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8955 -0.5776 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 -1.2876 1.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 -0.3077 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7346 -0.4131 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1551 0.0571 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6397 -0.2566 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9791 -0.7782 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4736 -1.7660 1.6403 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3295 -0.5365 1.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2883 1.5338 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8102 1.8499 1.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5556 2.2247 -0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 1.7434 -0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 2.5757 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 0.3455 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 -0.5493 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 0.0242 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 1.0289 -1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 0.0856 -1.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 -0.9330 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4854 -2.1839 -1.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1095 0.1500 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5569 1.1556 -1.9191 H 0 0 0 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1 0 11 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