HMDB0029463 RDKit 3D Gentisein 26 28 0 0 0 0 0 0 0 0999 V2000 0.3422 2.4267 0.1424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 1.1910 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 0.3787 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5493 0.9083 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 0.1437 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 0.6903 0.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 -1.2252 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 -1.7892 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 -0.9876 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -1.5136 0.1097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -0.7516 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 -1.3476 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 -0.5931 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 -1.2568 0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5136 0.7689 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 1.3980 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 2.7455 0.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 0.6442 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6429 1.9946 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.8725 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -1.8830 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -2.8681 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 -2.4221 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8767 -2.2486 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 1.3409 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5237 3.3830 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 2 1 0 9 3 1 0 18 11 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 12 23 1 0 14 24 1 0 15 25 1 0 17 26 1 0 M END