HMDB0303579 RDKit 3D Benzyl 2-methylbutanoate 30 30 0 0 0 0 0 0 0 0999 V2000 -3.8438 1.7514 -0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6378 0.8695 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 -0.0482 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 -0.9173 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -0.8841 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3401 -2.1540 0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -0.3692 0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 -1.2513 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4318 -0.5265 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 0.8521 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 1.4629 -0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9274 0.7090 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 -0.6526 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 -1.2378 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1911 2.2037 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6815 1.1729 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 2.5559 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 1.4633 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 0.2316 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 0.5855 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 -0.6689 1.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3229 -0.8288 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 -1.9790 0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -2.0008 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -1.8420 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 1.4277 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8539 2.5590 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 1.1615 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7057 -1.3080 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 -2.3377 -0.2385 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END