HMDB0003529 RDKit 3D myo-Inositol 1,3,4,5,6-pentakisphosphate 49 49 0 0 0 0 0 0 0 0999 V2000 -4.1732 0.8681 -0.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1076 1.8943 -0.3999 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6075 2.8397 0.9241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0459 2.9095 -1.7421 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 1.2299 -0.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 0.2516 -0.8861 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0596 0.7674 -1.5776 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2000 1.9086 -2.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0054 1.1652 -0.4645 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4217 1.9995 0.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2234 3.4980 0.5504 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1917 3.4285 1.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 4.7640 0.8064 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 3.7938 -0.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 -0.1473 0.1565 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0034 -0.8659 -0.9225 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 -1.1920 -0.7754 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2158 -0.7232 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -2.8703 -0.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 -0.4761 -2.0355 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3345 -0.9389 0.7147 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1084 -0.4202 1.9468 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.4937 3.2053 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7464 -2.7798 2.7742 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 -1.9792 3.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8421 -0.8926 4.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 -1.0366 -0.1818 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5612 -2.0101 -1.1414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 -3.2983 -1.0921 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8673 -4.5969 -1.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 -3.2275 -2.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 -3.3436 0.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 3.2291 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 2.3828 -2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 0.0767 -1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5298 -0.0328 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 1.7676 -3.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 1.7110 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1556 4.6916 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 4.3887 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 0.0651 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -3.1409 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 0.2212 -1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 -1.9710 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4131 -2.7321 4.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -1.6313 5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 -1.3181 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 -3.9657 -2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3233 -2.7678 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 9 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 17 20 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 21 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 27 6 1 0 3 33 1 0 4 34 1 0 6 35 1 6 7 36 1 6 8 37 1 0 9 38 1 6 13 39 1 0 14 40 1 0 15 41 1 1 19 42 1 0 20 43 1 0 21 44 1 1 25 45 1 0 26 46 1 0 27 47 1 1 31 48 1 0 32 49 1 0 M END