HMDB0037044 RDKit 3D Rotundifolone 26 27 0 0 0 0 0 0 0 0999 V2000 -2.9566 -0.1382 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 -0.0322 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 -0.2298 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 0.2347 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 0.3352 -1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -0.4052 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -0.0441 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 0.1011 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 -0.9855 1.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 0.4111 1.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 0.4495 1.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 0.6677 2.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0808 0.8426 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5122 -0.9010 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -0.4936 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 -1.1189 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7172 -0.4191 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3741 0.7010 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 1.3949 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -0.0844 -2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 -0.1909 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -1.5065 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 0.6030 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 0.6741 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -0.9156 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 1.0499 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 4 1 0 10 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 M END