HMDB0039740 RDKit 3D Isoamericanol A 42 44 0 0 0 0 0 0 0 0999 V2000 -6.8326 1.0234 -0.8253 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -0.1580 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7363 0.3751 1.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5286 0.3162 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 -0.3167 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -1.3409 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 -1.8124 -0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 -1.2573 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 -0.2109 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 0.2453 1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 0.3371 0.6269 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 -0.4436 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5906 0.4566 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 1.4965 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 2.3224 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8165 2.1458 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 2.9782 -0.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8703 1.1126 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0515 0.9207 1.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 0.2912 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3664 -1.5976 -0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 -1.6925 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 -0.6853 -2.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -1.6241 -1.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0698 1.6471 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -0.4809 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0598 -0.9172 -0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5175 0.9009 1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 0.8166 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3475 -1.8867 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 -2.6268 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 1.0573 1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -0.8387 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 1.6415 -1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 3.1421 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 2.8666 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1706 0.1853 2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -0.5267 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -2.5581 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 -2.6579 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4739 -1.7772 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -0.8690 -3.0688 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 2 0 12 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 10 5 1 0 20 13 1 0 24 8 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 10 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 17 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 23 42 1 0 M END