HMDB0256412 RDKit 3D Phenolphthalein 38 41 0 0 0 0 0 0 0 0999 V2000 -0.3525 3.1199 -2.6197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 2.3471 -1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 0.9877 -1.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 0.3636 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -0.4560 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 -1.3613 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 -2.1520 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -2.0402 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6505 -2.8351 0.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -1.1350 0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 -0.3545 0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 -0.4622 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -1.2515 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6859 -2.0126 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 -2.0088 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 -2.7962 -0.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 -1.2210 -1.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.4648 -1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 1.5019 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 1.6521 1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 2.9065 2.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 4.0453 1.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 3.9295 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 2.6904 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 -1.4777 -2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -2.8547 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2947 -2.8373 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -1.0469 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 0.3317 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 -1.2922 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9333 -2.6348 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6054 -3.7405 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -1.2385 -2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 0.1536 -2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3682 0.7964 2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 2.9812 3.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 5.0293 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 4.8378 -0.2625 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 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 4 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 4 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 2 1 0 11 5 1 0 18 12 1 0 24 19 1 0 6 25 1 0 7 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 13 30 1 0 14 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 20 35 1 0 21 36 1 0 22 37 1 0 23 38 1 0 M END