HMDB0039141 RDKit 3D Wyeronic acid 27 27 0 0 0 0 0 0 0 0999 V2000 6.1075 -0.7859 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6729 -0.4944 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 0.7273 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 0.9673 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 1.1465 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 1.3347 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 2.3794 -1.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3511 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 -0.8537 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7488 -1.4961 0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 -0.6434 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1273 -0.9587 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 -0.2287 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9112 1.0361 -0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9982 1.6021 -1.4046 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 1.6851 -1.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 0.3934 -0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6559 -1.0387 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 -1.6963 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 0.0158 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 -1.3159 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8478 1.5294 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 -1.2436 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -2.4483 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4193 -1.9424 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1280 -0.6689 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 2.6468 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 3 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 11 17 1 0 17 8 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 16 27 1 0 M END