HMDB0035934 RDKit 3D Isoalantolactone 37 39 0 0 0 0 0 0 0 0999 V2000 3.7894 1.3330 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 0.4017 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -0.7993 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -1.0922 1.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 -1.5404 1.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -1.1772 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 -1.3897 0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 -0.9610 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 -1.9676 -1.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 -1.1006 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 0.0492 0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 1.3066 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 1.4957 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 2.5794 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 0.3939 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 0.7096 -0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 0.3501 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 1.2799 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3407 2.1953 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -1.5511 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 -0.7029 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2278 -2.4361 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9373 -2.9975 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -1.8804 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 -1.8118 -2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 -1.3327 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 -2.0079 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 0.2370 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -0.1067 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 1.1003 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1723 2.1364 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 3.2968 0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 2.8592 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 0.4325 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0428 1.7568 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 0.1137 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 0.8280 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 17 6 1 0 15 8 1 0 1 18 1 0 1 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 M END