HMDB0030597 RDKit 3D Umbelliprenin 57 58 0 0 0 0 0 0 0 0999 V2000 6.4771 0.7623 1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2873 -0.2016 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0147 -1.4921 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 0.0587 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7526 1.3519 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.1542 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 0.3891 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 0.9321 1.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 -0.7583 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 -1.4359 -1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -1.6085 -1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.2934 -1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 0.7632 -2.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -0.0481 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0792 1.2591 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 1.1945 -1.0432 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4501 0.6159 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2076 0.0031 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2733 -0.5705 1.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5642 -0.5625 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5929 -1.1420 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8703 -1.0989 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0337 -0.4634 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2235 -0.4334 -0.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 0.0675 -0.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7958 0.0550 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7548 0.6272 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2721 0.4391 2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8278 1.7603 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5621 0.9266 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 -1.8047 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0057 -1.3054 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5108 -2.2675 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 -0.6659 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 1.9924 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 1.9080 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 0.7754 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 2.2162 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 0.2025 2.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 1.1415 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 1.9053 1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6038 -1.2424 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2998 -1.0077 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -2.4970 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1457 -2.2572 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -2.1404 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 0.4365 -3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 1.0479 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 1.6470 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -0.8413 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 1.9849 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 1.7124 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 -0.0649 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1084 -1.0673 2.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4145 -1.6267 2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7248 -1.5462 1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9289 1.1135 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 2 0 27 17 1 0 26 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 8 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 13 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 18 53 1 0 19 54 1 0 21 55 1 0 22 56 1 0 27 57 1 0 M END