HMDB0037593 RDKit 3D Oryzalic acid A 55 58 0 0 0 0 0 0 0 0999 V2000 -3.3262 0.4561 -1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 -0.6542 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8141 -1.4365 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -1.6005 -1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 -2.8478 -1.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 -1.2368 -2.9005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 -0.3910 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 -1.6494 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -1.9101 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 -0.7510 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8855 -1.1425 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 -0.1553 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 1.2141 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2886 1.6312 -0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 0.5127 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 0.7627 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2372 0.6184 2.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 2.0705 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 3.3062 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 4.1606 -0.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0505 3.6921 2.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 -0.3629 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7675 -1.0834 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9678 0.5325 1.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 -0.5877 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0505 1.0013 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0467 -0.1270 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 1.0351 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -1.1433 1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7209 -1.2701 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 -2.5250 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 -0.2501 -3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -0.1195 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 -1.7770 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 -2.5106 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -2.6800 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 -2.4877 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 -2.1854 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 -0.9858 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 -0.3683 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 1.9124 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 1.2866 -2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4928 2.3235 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 2.2771 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0729 0.2400 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.3503 2.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 0.7963 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4627 1.4582 2.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 2.2739 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 2.0496 1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 4.1362 2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 -0.7496 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 -2.1851 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -0.8603 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2956 -1.3633 1.8838 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 4 5 2 0 4 6 1 0 2 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 12 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 16 7 1 0 25 22 1 0 15 10 1 0 25 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 17 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 21 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 25 55 1 0 M END