HMDB0038311 RDKit 3D xi-gamma-Undecalactone 33 33 0 0 0 0 0 0 0 0999 V2000 4.9729 0.3424 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 0.5694 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 -0.0897 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 0.1439 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 -0.4678 -0.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 0.0902 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -0.5145 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 -0.2925 -0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 -0.9570 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6089 0.0534 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8466 1.3133 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0812 2.3843 0.8738 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 1.0657 -0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 0.0289 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 1.2537 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5957 -0.4975 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 1.6361 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 0.0262 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 0.4345 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -1.1426 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 1.2342 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2699 -0.3522 -1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6183 -1.5615 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -0.3679 -1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 1.1956 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 -0.0996 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 -1.5801 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -0.0382 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 -0.7347 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3968 -1.1506 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6713 -1.9015 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5843 -0.2024 1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6673 0.1787 0.1819 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 1 0 11 12 2 0 11 13 1 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 M END