HMDB0032340 RDKit 3D Isoambrettolide 46 46 0 0 0 0 0 0 0 0999 V2000 1.5007 4.5731 0.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 3.6533 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 2.4066 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 2.1954 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 1.0964 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1773 -0.2420 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 -1.0211 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -2.4554 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -2.9443 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 -3.5720 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 -3.0865 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -1.9056 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 -1.6185 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 -0.1373 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 0.6863 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 2.0205 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4414 2.8245 0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 3.7699 0.3707 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 2.5292 -1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 1.5219 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 3.1576 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 2.0482 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 0.9694 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 1.3374 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 0.0012 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.7918 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2451 -0.5616 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -1.0729 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 -3.1083 -0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9252 -2.4889 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 -2.0995 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 -3.7080 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -4.4428 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 -3.5541 -1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 -1.0384 -0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -2.0191 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 -2.1513 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 -2.0185 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 0.1492 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 0.0098 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 0.2104 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.9744 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2129 2.5410 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 1.8482 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 2.1285 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 3.3854 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 2 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 M END