HMDB0029691 RDKit 3D Wine lactone 26 27 0 0 0 0 0 0 0 0999 V2000 -3.2358 -1.0552 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 -0.5513 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -1.1758 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 -0.7440 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5008 -1.7234 0.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 -1.0587 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5965 -1.5268 -0.8672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 0.3016 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 1.2440 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 0.0732 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3742 1.2093 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 0.6483 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -2.1350 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 -0.8558 -0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 -0.4435 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -2.0507 1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -0.0648 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 0.5958 -1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2903 1.9481 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 0.7118 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 1.8824 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.5589 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 1.6125 0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 2.0296 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 0.2950 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5342 1.3921 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 2 1 0 10 4 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 4 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 M END