HMDB0034974 RDKit 3D (R)-Carvotanacetone 27 27 0 0 0 0 0 0 0 0999 V2000 3.7288 0.2316 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3267 -0.0352 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5901 -0.9289 -0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1925 -1.2512 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4564 0.0003 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.2141 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 1.1393 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7933 -0.7328 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 0.5807 1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 0.6905 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 1.4169 1.5738 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 -0.7102 -0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 0.7133 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 0.9585 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 -1.4443 -1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3238 -1.5507 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -2.0367 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 0.7623 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 -0.8817 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4838 1.0214 1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 1.9426 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 1.3545 1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3341 -1.1893 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4498 0.0990 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5265 -1.4857 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 -0.0686 2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 1.6187 1.3120 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 1 0 6 7 1 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 2 0 10 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 M END