HMDB0033884 RDKit 3D Gravolenic acid 36 37 0 0 0 0 0 0 0 0999 V2000 -3.4524 0.6423 -0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 0.1348 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 1.1943 1.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8996 -0.9527 0.7298 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.3524 0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 -1.3581 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -1.1654 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -1.9955 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -3.2369 -1.8566 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3592 -1.5610 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 -2.3932 -2.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 -0.3063 -0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 0.5029 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 1.7538 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 2.1165 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 1.3894 1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 0.2330 1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 2.0754 2.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 0.0655 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 0.6722 0.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.2303 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 1.3251 -0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6271 1.1381 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 2.2028 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7374 0.9787 2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3985 1.2641 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 -1.3936 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 -0.7309 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9212 -1.0476 -1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -2.3982 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -3.5136 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 -3.2946 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -0.0214 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 2.5518 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 3.1954 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8977 2.5158 2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 13 19 2 0 19 20 1 0 20 5 1 0 19 7 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 9 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 18 36 1 0 M END