HMDB0003572 RDKit 3D Rosmarinic acid 42 43 0 0 0 0 0 0 0 0999 V2000 -0.2063 -1.1387 2.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 -0.5879 1.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -0.8514 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 -0.2400 0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -0.4290 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8689 -1.2728 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 -1.4020 1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 -0.6947 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 -0.8172 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1363 0.1448 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 0.8735 -1.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7855 0.2936 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.3010 0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 0.5531 0.8962 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0052 -0.0385 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 0.1155 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 1.2349 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3497 1.3330 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1772 0.3440 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5673 0.4560 -0.8669 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6263 -0.7596 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4551 -1.7728 0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2631 -0.8688 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 1.9762 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8439 2.8385 1.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 2.3831 1.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -1.5320 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 0.4478 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -1.8431 2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7815 -2.0793 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6715 -0.2766 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 1.4928 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1983 0.9683 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -0.0568 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 -1.1239 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 0.3873 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 2.0136 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8332 2.1880 -1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1501 -0.2761 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0403 -2.5628 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8512 -1.7591 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 2.0383 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 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 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 14 24 1 0 24 25 2 0 24 26 1 0 12 5 1 0 23 16 1 0 3 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 9 31 1 0 11 32 1 0 12 33 1 0 14 34 1 1 15 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 20 39 1 0 22 40 1 0 23 41 1 0 26 42 1 0 M END