HMDB0041481 RDKit 3D 4-(3,4-Methylenedioxyphenyl)-2-butanone 26 27 0 0 0 0 0 0 0 0999 V2000 -4.1624 0.7968 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 -0.0184 0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -0.4755 1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -0.3182 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 0.2964 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 -0.0587 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5602 -1.2145 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 -1.5440 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 -0.7587 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 0.4009 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 0.7221 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 0.9711 1.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 0.3911 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1943 -0.8763 0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3363 1.8480 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1341 0.3370 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4971 0.9322 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 0.1272 1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 -1.4046 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 1.4030 -0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 -0.0805 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -1.8756 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2149 -2.4702 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 1.6205 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 0.2592 1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.9899 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 11 6 1 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 11 24 1 0 13 25 1 0 13 26 1 0 M END