HMDB0035781 RDKit 3D Naematolone 44 45 0 0 0 0 0 0 0 0999 V2000 -0.6861 -2.8256 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 -1.5183 0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6652 -1.1354 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5955 -1.5027 -2.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8628 -0.3331 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 -1.1148 -0.8115 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -0.7838 -1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 -1.6451 -2.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 0.2492 -2.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0049 0.1464 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 1.2301 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 1.6166 2.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5812 2.0572 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 3.3203 0.5194 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5641 1.5284 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 2.7055 -0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4931 0.7108 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1292 -0.6447 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 -0.9670 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 0.2458 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 -0.1162 -1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 1.0401 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 -3.5379 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 -3.1981 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9602 0.5079 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2979 -1.7005 -3.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0712 -1.2027 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 -2.6579 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -0.4323 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 1.1976 3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6873 2.7238 2.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8841 1.2263 3.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 1.0568 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 3.0438 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7517 1.3193 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 -0.7483 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1736 -0.8962 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -1.8942 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 -0.9508 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 0.7363 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 -0.4816 -1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 1.4108 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 1.8563 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 0.3577 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 5 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 18 2 1 0 20 17 1 0 1 23 1 0 1 24 1 0 5 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 21 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 22 44 1 0 M END