HMDB0031030 RDKit 3D 6-Heptyl-5,6-dihydro-2H-pyran-2-one 34 34 0 0 0 0 0 0 0 0999 V2000 4.7359 1.1606 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6972 -0.2457 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 -0.4783 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -0.3363 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9075 -0.5852 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -0.4661 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 -0.7406 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -0.6367 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 0.7338 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1464 1.3229 -1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2212 0.8002 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 -0.4570 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1421 -0.9563 0.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -1.0223 0.2779 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 1.4503 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 1.8037 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 1.1601 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 -1.0159 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 -0.2466 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 0.2194 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2121 -1.5025 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1956 0.6970 -0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -1.0941 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7835 0.1441 1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -1.5915 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -1.2533 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 0.5401 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 -1.7760 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -0.0079 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -1.3774 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 0.8037 -2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 1.4392 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2598 2.2436 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2005 1.2712 -0.6381 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 8 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 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 M END