HMDB0256292 RDKit 3D Pentoxyresorufin 38 40 0 0 0 0 0 0 0 0999 V2000 6.6851 0.9444 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 0.6105 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 -0.8449 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6663 -1.2515 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 -0.4488 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 -0.9201 0.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 -0.3967 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0948 0.6524 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 1.1786 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 0.6709 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 1.2036 -0.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7448 0.6420 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0454 1.0951 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1171 0.5197 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 -0.5291 1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9554 -1.0555 1.8289 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6946 -1.0209 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 -0.4680 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -0.9296 1.0676 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 -0.3778 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -0.8913 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 0.6507 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 0.4192 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8755 2.0327 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 1.3087 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 0.7596 1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 -1.0566 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -1.4662 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -2.3187 0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6805 -1.1418 1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 0.6408 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 -0.5173 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 1.0492 -1.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4586 2.0050 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1401 1.9220 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1113 0.8870 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5516 -1.8460 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -1.7114 1.3954 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 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 7 1 0 20 10 1 0 18 12 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 5 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 13 35 1 0 14 36 1 0 17 37 1 0 21 38 1 0 M END