HMDB0006101 RDKit 3D Enterolactone 40 42 0 0 0 0 0 0 0 0999 V2000 2.2302 0.4131 -2.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 0.3250 -1.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0602 0.7294 -2.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -0.0314 -1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 0.1677 -0.1161 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4850 -0.8632 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 -0.6768 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -1.3514 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9699 -1.1879 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6755 -0.3564 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 0.3174 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 1.1502 1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6971 0.1435 1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -0.1568 -0.1698 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5054 0.5460 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 0.3319 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -0.8076 1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9388 -1.0247 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7279 -0.1193 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1378 1.0016 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 1.9268 -0.7657 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 1.2248 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 -1.0834 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 0.3259 -1.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 1.1845 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2197 -1.8731 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 -0.7551 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 -1.9909 -1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4667 -1.7167 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7364 -0.2197 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9484 2.1290 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 0.6749 2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8194 -1.2674 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2285 0.1909 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 1.6372 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 -1.5523 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -1.9249 1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7921 -0.2860 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3476 2.6907 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3806 2.1345 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 5 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 14 2 1 0 22 16 1 0 13 7 1 0 4 23 1 0 4 24 1 0 5 25 1 1 6 26 1 0 6 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 13 32 1 0 14 33 1 6 15 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 21 39 1 0 22 40 1 0 M END