HMDB0035935 RDKit 3D Dihydroisoalantolactone 39 41 0 0 0 0 0 0 0 0999 V2000 -1.0120 2.9327 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 1.7401 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7739 1.5880 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 0.2382 0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 -0.7809 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -0.7360 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8304 -1.3536 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4078 -1.7097 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 -1.6168 0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 -2.3546 -0.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 -1.6404 -0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 -2.1737 -0.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5579 -0.2093 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 0.6287 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 -0.2435 0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5896 0.8491 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 0.6188 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 3.7701 -0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 3.0910 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 1.5802 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 2.4210 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 0.0390 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 0.2154 1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 -1.7777 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -0.4944 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0693 -2.4134 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -1.0666 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 -0.8056 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -2.7351 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 -1.6211 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -2.1043 1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 0.1169 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 0.7323 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 1.6045 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 0.1176 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -0.0467 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 1.0113 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 1.7907 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 0.7977 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 17 6 1 0 15 9 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 M END