HMDB0256643 RDKit 3D Plicatic acid 52 54 0 0 0 0 0 0 0 0999 V2000 -4.0498 -4.1492 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -4.0292 1.7673 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -2.8707 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7044 -1.8081 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 -0.6893 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6114 -0.6192 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0861 -1.6565 1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 -2.7936 1.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -3.9128 2.1935 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 0.6773 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 0.8241 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 1.4486 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 1.6240 2.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 2.2558 3.2554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 1.1454 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 1.2943 1.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7339 0.5039 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 0.0542 -0.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 -0.6107 -2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3888 0.3604 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 0.8604 -1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -0.3665 -1.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 1.8624 -1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5813 3.0315 -1.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 1.5442 -3.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 1.1832 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3955 0.8189 -2.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 2.6780 -0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 2.9096 -0.9655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6709 0.4805 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2692 -3.9092 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5936 -3.4444 2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3405 -5.1775 1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 -1.8855 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 -1.5712 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -4.7464 2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 1.4648 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0818 1.8316 2.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 2.6084 3.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 1.7333 2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 -0.5457 -2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7402 -1.7024 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3212 -0.3397 -2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -0.1275 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -0.3991 -2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.5781 -3.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2311 1.3036 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7673 3.0305 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6645 3.2944 -1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7609 3.5829 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6719 0.1906 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 1.1795 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 6 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 10 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 21 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 26 30 1 0 8 3 1 0 20 11 1 0 30 5 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 9 36 1 0 10 37 1 0 12 38 1 0 14 39 1 0 16 40 1 0 19 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 22 45 1 0 25 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 30 52 1 0 M END