HMDB0240213 RDKit 3D Prostaglandin lactone-diol 43 44 0 0 0 0 0 0 0 0999 V2000 5.9947 -1.0266 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 0.3606 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 0.5133 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3019 -0.5128 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -0.5605 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 0.6997 -0.7029 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6353 1.7423 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.6555 -0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -0.4191 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 -0.5127 -0.1847 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7615 -1.1691 1.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3567 -2.4929 1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 -1.0422 1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 0.4064 0.8508 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5917 0.6236 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 1.5730 -0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0182 2.5062 -1.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 1.2105 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2497 0.7657 -0.0216 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7125 -1.7789 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 -1.2754 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 -1.0130 0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1734 1.1241 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6456 0.4605 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 0.4142 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 1.5246 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 -1.5172 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -0.4946 -1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6974 -0.8168 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -1.4491 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 0.9900 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 2.5626 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8358 1.6208 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 -1.3821 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 -1.1665 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3386 -0.5539 1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 -2.6538 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6515 -1.2590 2.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -1.6801 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4908 1.0548 1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 0.3281 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 2.0610 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6848 1.5788 0.4420 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 10 1 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 6 7 32 1 0 8 33 1 0 9 34 1 0 10 35 1 6 11 36 1 1 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 1 18 41 1 0 18 42 1 0 19 43 1 1 M END