HMDB0062726 RDKit 3D 3-methyl-2-pentanol 21 20 0 0 0 0 0 0 0 0999 V2000 1.6446 -1.1165 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -0.3143 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 0.7059 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 1.7645 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 0.1532 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3762 -0.7452 0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 -0.4879 -1.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 -0.7309 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 -2.1644 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 -1.2746 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 0.1125 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7748 -1.0200 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 1.2757 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 2.4146 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 1.3943 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3886 2.4443 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 1.0379 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 -0.7802 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 -1.8138 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 -0.3556 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -0.4993 -1.4614 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 1 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 M END