HMDB0039794 RDKit 3D Methyl 4Z-octenoate 27 26 0 0 0 0 0 0 0 0999 V2000 -4.0744 0.4267 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 -0.6628 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -0.2108 -1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 -0.0371 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 -0.7044 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -0.4878 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9194 -0.0208 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1094 0.1952 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -0.0076 1.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 0.6271 -0.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 0.8221 0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8713 1.3876 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 0.2372 1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 0.3838 1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8347 -0.7853 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6365 -1.6155 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -1.0188 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 0.7037 -1.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 0.6777 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3639 -1.4187 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 0.1896 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -1.4641 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 0.8950 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -0.7857 -1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 0.4115 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 1.9234 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3227 0.3387 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END