HMDB0035250 RDKit 3D Myrtenal 25 26 0 0 0 0 0 0 0 0999 V2000 -1.1674 -0.2488 1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 0.0838 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2186 0.6950 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3906 -0.9994 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 -1.7866 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -0.8103 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 0.4788 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 1.4428 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 1.1716 1.5315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 0.9286 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 0.1279 -1.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2396 -0.3039 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 0.5523 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.2170 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 1.3831 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 1.3121 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -0.1261 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 -1.5661 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -2.3571 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3252 -2.5074 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -1.2671 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 2.5245 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0704 1.9970 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 -0.0774 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 0.5698 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 7 10 1 0 10 11 1 0 10 2 1 0 11 4 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 11 25 1 0 M END