HMDB0031528 RDKit 3D Isopentyl acetate 23 22 0 0 0 0 0 0 0 0999 V2000 3.9792 -0.2461 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -0.4348 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -1.2669 1.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 0.2575 -0.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 0.0970 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 0.4484 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 0.2932 0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4459 1.1675 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -1.1573 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 0.7073 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5593 -1.1149 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 -0.0774 1.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 -0.9909 -1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.6509 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 1.5108 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -0.1529 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 0.6267 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 1.7255 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 1.9547 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 0.6233 -1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -1.5271 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -1.3536 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 -1.7408 0.8544 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 M END