HMDB0040462 RDKit 3D Garcinia lactone dibutyl ester 43 43 0 0 0 0 0 0 0 0999 V2000 -6.5145 -0.1916 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5006 -0.1855 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3536 0.6409 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 0.0845 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 0.8365 0.7978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6263 0.5336 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.4619 -0.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 1.3283 1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 0.7651 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9818 0.7481 -0.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.5781 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 2.6372 1.0553 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 0.5793 2.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 -0.3696 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -1.1997 0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 -1.9743 -0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -1.1535 0.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.9698 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -1.6190 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 -0.2767 -1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6214 0.8779 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8932 0.6607 -1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5539 -0.0532 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 -1.1132 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -1.2096 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4353 0.3083 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5071 1.6771 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4139 0.7573 1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0343 0.2003 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9713 -0.9828 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.3656 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 1.3713 2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 1.3379 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 -0.9861 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 -3.0476 0.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -1.8633 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4145 -2.3960 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 -1.6105 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 -0.2525 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.0673 -2.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1554 1.8400 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 0.8807 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 0.9750 -1.1450 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 14 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 14 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 M END