HMDB0301852 RDKit 3D (+)-Rotundifolone 26 27 0 0 0 0 0 0 0 0999 V2000 -2.9241 -1.1147 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 0.0028 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 1.2515 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 -0.0309 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 1.1009 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 0.4968 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1406 -0.3056 0.0716 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4998 0.2174 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 -1.7256 -0.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 -1.1008 0.9475 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0599 -1.2074 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 -2.2468 0.8946 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0017 -0.8208 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -2.0117 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 -1.3761 1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 1.1847 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 2.0799 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3136 1.3434 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4425 1.6094 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 1.8344 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 1.3508 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.1713 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2297 -0.2623 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8206 -0.1066 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 1.3106 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 -1.3020 1.9880 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 1 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 1 M END