HMDB0036349 RDKit 3D Amlaic acid 70 74 0 0 0 0 0 0 0 0999 V2000 -6.1053 -0.0710 2.6969 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0572 0.1404 2.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2533 0.8281 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 0.9991 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 0.8392 -1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 1.8127 -2.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8275 -0.3704 -1.9535 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 -0.0550 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 -0.7463 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 -0.3682 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -1.3429 -2.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4359 -2.6528 -1.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -3.5218 -2.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 -3.0398 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 -4.3431 -0.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 -2.1069 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 -2.5746 1.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 0.9581 -2.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 1.0550 -3.3275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 2.1639 -1.5295 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 2.1157 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 2.4835 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 1.3322 -0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 1.2346 -1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 2.2104 -1.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 0.0513 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 -0.0092 -2.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8724 -1.1275 -2.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8911 -1.1692 -3.2348 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 -2.2170 -1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 -3.3226 -1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 -2.1735 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 -3.2359 0.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8818 -1.0356 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5876 3.0419 1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8361 2.6550 2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 1.7251 3.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 2.3382 3.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 2.2011 1.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 2.3561 2.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 1.6330 2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 2.2917 2.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 0.2559 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -0.3274 2.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 3.0100 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 4.2475 0.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8154 1.7786 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9099 0.1463 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 2.0216 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -1.0683 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9006 -0.9264 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0099 -1.0815 -3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -4.4668 -2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -5.0214 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5337 -3.5199 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 1.0346 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 3.1860 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2039 0.8421 -2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 -1.9472 -3.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -4.1385 -0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 -4.0752 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0837 -0.9846 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 3.6052 2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 0.8620 2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 1.4622 3.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0314 1.9792 4.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 1.0949 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 -0.2785 2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 3.2400 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 4.9255 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 2 0 22 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 36 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 39 45 1 0 45 46 1 0 44 2 1 0 43 8 1 0 16 9 1 0 45 21 1 0 34 26 1 0 3 47 1 0 3 48 1 0 4 49 1 0 7 50 1 0 8 51 1 0 11 52 1 0 13 53 1 0 15 54 1 0 17 55 1 0 21 56 1 0 22 57 1 0 27 58 1 0 29 59 1 0 31 60 1 0 33 61 1 0 34 62 1 0 36 63 1 0 37 64 1 0 37 65 1 0 38 66 1 0 39 67 1 0 43 68 1 0 45 69 1 0 46 70 1 0 M END