HMDB0036636 RDKit 3D Methuyl tanshinonate 43 46 0 0 0 0 0 0 0 0999 V2000 -4.5133 2.5173 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 1.4404 0.7576 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 0.5527 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3982 0.7681 -1.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -0.5881 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9803 -1.3289 -1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -1.5203 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 -2.7319 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 -2.3671 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2651 -0.9628 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2737 -0.1154 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 1.1800 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 1.6579 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 0.8324 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -0.4790 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 -1.3931 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 -2.5826 0.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 -0.8732 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 -1.6407 0.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.5029 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 1.2636 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 0.7894 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 2.5100 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 2.5326 -0.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7153 1.3406 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3817 2.3371 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9269 2.7250 1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 3.4471 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 -2.2203 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -1.6554 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5436 -0.6595 -2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -0.9779 1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -1.8382 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -3.2775 -0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -3.4432 1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 -2.5033 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -3.1045 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 1.8105 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 2.6899 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 0.1695 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3004 0.1871 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 1.6462 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 3.3626 -0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 1 0 11 5 1 0 25 14 1 0 15 10 1 0 25 20 2 0 1 26 1 0 1 27 1 0 1 28 1 0 6 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 M END