HMDB0304737 RDKit 3D Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside 80 83 0 0 0 0 0 0 0 0999 V2000 5.7109 1.9176 -1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1924 1.3966 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1551 -0.1040 -0.2325 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6264 -0.5629 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2581 -0.1036 1.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2036 -0.5719 0.4305 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1224 -2.0513 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9983 0.1874 0.7111 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3827 0.0717 2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 1.0097 1.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 1.1779 0.3957 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4039 1.2669 -0.1252 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1678 2.2018 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 2.1757 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2104 1.1438 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 1.2033 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3105 0.1318 0.4910 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2379 -0.6382 -0.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3721 -0.6606 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0947 -1.1076 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -0.1312 -0.3212 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0527 -0.5511 -1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0518 -0.0435 -0.4027 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3455 -1.2083 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -1.2748 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 0.0279 -0.1938 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2126 0.4352 -1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -0.6715 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4718 -0.2016 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4947 -2.1846 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7146 1.5706 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7545 3.0295 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 1.6256 -2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 1.8449 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 1.7615 -0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 -0.4924 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3054 -0.0676 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7963 -1.6479 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 -0.4279 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2283 0.9981 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 -0.2171 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 -2.5523 1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -2.4181 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -2.3552 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 1.2846 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 -0.9384 2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 0.4707 2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5537 2.0194 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 0.6789 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 2.0956 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 1.8534 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 2.0660 1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 3.2400 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 3.0844 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9156 1.0064 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0528 2.2255 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9663 0.7025 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3063 -1.5529 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -1.6017 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1925 -0.1480 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4289 -1.3762 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2973 -2.0562 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2907 -1.1679 -2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 0.3412 -2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9593 -1.1376 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -0.2588 -1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 -1.2585 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 -2.1255 -0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 -1.7906 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 -1.9866 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 -0.1045 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 1.5399 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 0.3114 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 -0.4091 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4594 0.8712 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5076 -0.4926 0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -0.6985 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -2.5339 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4225 -2.5623 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5599 -2.5237 0.7379 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 6 3 28 1 0 28 29 1 0 28 30 1 0 26 8 1 0 26 11 1 0 23 12 1 0 21 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 6 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 6 7 42 1 0 7 43 1 0 7 44 1 0 8 45 1 1 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 6 12 51 1 6 13 52 1 0 13 53 1 0 14 54 1 0 16 55 1 0 16 56 1 0 17 57 1 1 18 58 1 0 19 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 22 63 1 0 22 64 1 0 22 65 1 0 23 66 1 6 24 67 1 0 24 68 1 0 25 69 1 0 25 70 1 0 27 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 30 80 1 0 M END