HMDB0061831 RDKit 3D (Z)-alpha-Irone 37 37 0 0 0 0 0 0 0 0999 V2000 4.3465 -1.1067 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 -0.6116 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 -0.4620 -0.9815 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -0.3864 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8031 0.0338 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.3425 -0.2933 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1855 1.7733 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 2.8017 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 2.1235 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 1.1432 0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -0.2168 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4407 -1.2326 1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9656 -0.5330 -0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2312 -0.3420 -2.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5554 -1.9842 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5087 -0.8297 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1563 -0.6100 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4486 -2.1827 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.5806 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 0.1680 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 0.1592 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.2166 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 2.3414 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 3.6421 -1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 3.1775 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2632 1.5462 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 1.1268 1.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 -0.3196 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5412 -1.1376 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9228 -1.0087 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3192 -2.2751 0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 -0.9199 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 0.7548 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 -0.6373 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -2.2202 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -2.6095 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 -2.1444 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 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 11 13 1 0 13 14 1 0 13 15 1 0 13 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 6 21 1 6 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END