HMDB0035023 RDKit 3D Acacetin 7-[apiosyl(1->6)-glucoside] 71 75 0 0 0 0 0 0 0 0999 V2000 11.6587 1.0461 -3.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2905 1.0224 -3.4223 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2913 0.6754 -2.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 0.3140 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 -0.0228 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 -0.0009 -0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 -0.3521 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2771 -0.7361 1.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 -1.0691 2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4018 -1.4112 3.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 -1.0077 1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 -1.3195 2.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -1.7111 3.7681 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -1.2402 1.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4045 -0.8497 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -0.7538 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 -1.0382 0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 0.1642 0.6285 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1472 0.0121 0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 1.1438 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 1.0453 0.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7506 1.0275 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6103 -0.0523 -0.5587 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7259 0.2723 0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0055 1.7029 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9719 1.8085 -1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4369 2.4569 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6231 1.9163 1.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6607 2.2455 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7293 2.5107 -1.9486 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 -1.3268 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8251 -1.4066 1.5312 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1324 -2.3857 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1885 -3.6643 0.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -2.0218 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8204 -1.4817 -1.6474 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5608 -0.5386 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 -0.6097 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8773 -0.3044 -0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9763 0.3688 -2.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 0.7039 -2.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0798 0.0373 -3.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8927 1.5204 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1450 1.7077 -3.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6068 0.2888 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8096 -0.2942 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2851 -0.7829 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 -1.8511 4.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6768 -1.4982 2.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9483 -1.4896 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -0.0495 -0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 1.1948 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5487 2.0808 0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9849 1.0824 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5552 -0.3860 -0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5174 0.1406 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8353 2.1815 -0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6613 2.4171 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6021 3.5217 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8140 2.1283 2.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3278 3.1259 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6309 2.5584 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -1.4506 2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3516 -2.1191 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -2.3243 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1287 -3.5292 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 -2.9280 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 -1.5664 -2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.2323 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 0.3888 -2.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 0.9947 -3.9975 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 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 25 29 1 0 29 30 1 0 19 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 15 37 1 0 37 38 2 0 38 39 1 0 6 40 1 0 40 41 2 0 41 3 1 0 39 7 1 0 38 11 1 0 35 17 1 0 29 22 1 0 1 42 1 0 1 43 1 0 1 44 1 0 4 45 1 0 5 46 1 0 8 47 1 0 13 48 1 0 14 49 1 0 17 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 22 54 1 0 24 55 1 0 24 56 1 0 26 57 1 0 27 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 30 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 34 66 1 0 35 67 1 0 36 68 1 0 37 69 1 0 40 70 1 0 41 71 1 0 M END