HMDB0030102 RDKit 3D Hulupinic acid 39 39 0 0 0 0 0 0 0 0999 V2000 -2.1208 -1.7626 1.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6008 -1.1464 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -1.8110 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0887 -0.0420 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 0.7781 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 0.9189 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.3851 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2688 -1.0200 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 -1.3549 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -1.9804 1.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -1.1181 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 1.6543 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 1.2216 -2.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 3.0660 -1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 4.1289 -1.8128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5197 3.2164 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 4.4050 0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 1.9179 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2526 1.7639 0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -2.3090 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 -1.0525 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 -2.5172 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -2.7849 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 -1.2414 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5684 -2.0592 0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 0.3487 -1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5773 0.3791 1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 1.8166 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -1.0474 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4005 -0.3142 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -1.2154 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -3.0682 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1482 -1.5361 1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 -1.6821 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -0.1277 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 -1.2524 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2515 -1.8724 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2154 4.1120 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 4.9735 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 9 11 1 0 6 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 11 37 1 0 15 38 1 0 17 39 1 0 M END