HMDB0240537 RDKit 3D Isorhamnetin 3-sulfate 37 39 0 0 0 0 0 0 0 0999 V2000 4.2809 0.2252 2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0154 -1.1429 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -1.6285 1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8766 -0.7586 1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -1.2245 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -0.4302 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 -1.0511 -0.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 -0.4798 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6454 -1.1711 -1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7413 -0.5579 -1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8653 -1.3269 -2.0009 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7447 0.8060 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6257 1.5275 -1.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 2.8975 -1.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 0.8941 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 1.6264 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 2.8691 -0.7722 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 0.9167 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 1.6787 0.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0121 1.9702 -0.9186 S 0 0 0 0 0 6 0 0 0 0 0 0 3.3102 2.3303 -0.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1952 0.7739 -1.7989 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5886 3.2979 -1.8721 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -2.6180 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -3.4789 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 -2.9829 1.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 -3.8590 2.0917 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5838 0.6960 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 0.7704 2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0432 0.4186 3.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 0.2751 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -2.2446 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6266 1.2531 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4415 3.3688 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 3.9515 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 -3.0311 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5411 -4.5612 0.9521 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 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 18 6 2 0 15 8 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 9 32 1 0 12 33 1 0 14 34 1 0 23 35 1 0 24 36 1 0 25 37 1 0 M CHG 2 11 -1 27 -1 M END