HMDB0036635 RDKit 3D Hydroxytanshinone 41 44 0 0 0 0 0 0 0 0999 V2000 6.0568 -0.1078 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -0.0099 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7222 0.1358 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 0.1809 -2.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 0.0760 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 -0.0454 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.1794 1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7185 -0.2889 2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 -0.1805 1.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.2981 2.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -0.0504 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 0.0748 -0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 0.2004 -2.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 0.2009 -1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 0.0753 -0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -0.0524 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 -0.1927 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 0.9541 2.6264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -0.3941 1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3785 0.6520 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 0.0863 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5944 -1.2709 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5745 1.0372 -1.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9201 -0.2193 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0062 -0.9416 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 0.8521 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 0.1949 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9291 0.2996 -2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5135 0.3024 -2.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0538 -1.1311 2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 0.6914 3.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 -0.2330 2.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -1.4331 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7672 1.5664 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 0.8319 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 -1.3693 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -2.0971 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8883 -1.3871 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6442 1.2052 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 2.0134 -1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 0.5916 -2.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 6 2 1 0 16 11 1 0 12 5 1 0 21 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 13 28 1 0 14 29 1 0 17 30 1 0 18 31 1 0 19 32 1 0 19 33 1 0 20 34 1 0 20 35 1 0 22 36 1 0 22 37 1 0 22 38 1 0 23 39 1 0 23 40 1 0 23 41 1 0 M END