HMDB0034411 RDKit 3D Phaseollinisoflavan 44 47 0 0 0 0 0 0 0 0999 V2000 -5.4648 -0.6791 -1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 -0.1915 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8873 0.0429 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2515 1.1527 -0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0156 1.4284 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 0.4733 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 -0.8074 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7238 -1.7407 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 -1.4105 1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 -0.1691 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4905 0.2933 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 -0.6231 2.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 -1.4029 1.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -0.7723 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 -1.0533 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3094 -0.3881 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -0.6351 -0.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 0.5767 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4548 0.8601 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 0.1929 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 0.4988 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7725 0.7785 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 2.0464 0.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 -1.0775 0.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8071 -0.3664 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4148 -0.1124 -1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -1.7664 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 -0.7844 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3536 1.0372 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 0.1350 1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9523 1.8649 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 2.4410 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -2.7345 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -2.1838 1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 1.3279 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7383 -0.0037 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5104 -1.2352 2.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 -1.8095 1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3327 -0.1185 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4186 1.1263 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 1.6099 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0289 1.5409 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -0.1225 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8357 2.7604 -0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 10 22 2 0 22 23 1 0 7 24 1 0 24 2 1 0 22 6 1 0 21 11 1 0 20 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 21 42 1 0 21 43 1 0 23 44 1 0 M END