HMDB0040672 RDKit 3D 3-Oxo-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 73 75 0 0 0 0 0 0 0 0999 V2000 -3.8300 1.7310 2.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 0.6676 1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5174 -0.5961 2.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 -1.6396 1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9658 -2.8578 1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0198 -1.2861 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2983 0.1882 0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1466 0.6406 -0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1163 0.4102 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0322 0.9943 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 0.8252 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 0.4175 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9099 0.2601 -1.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 0.2715 -2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1697 -0.8785 -1.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 -0.6153 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -1.0050 -0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 -1.1803 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 0.1353 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0793 -0.1698 0.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8482 0.9598 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7602 0.9924 -0.4844 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8216 0.1621 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 0.7292 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8297 -0.1290 2.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7904 2.0657 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9861 2.8694 0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 0.9445 1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 -0.0809 2.6888 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 -2.0369 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 -3.0703 -0.3474 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 -2.5546 -1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -3.1984 -2.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -1.3152 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -0.4675 -2.9476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1556 2.7216 2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 1.7226 2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1235 1.5605 3.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1044 -0.8862 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6162 -1.6122 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9798 -1.8229 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9066 1.4138 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7781 -0.2203 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5946 1.0023 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7507 1.2798 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1764 0.5434 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0293 -0.4725 2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3421 2.0667 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4465 1.0483 -1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 0.1992 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 1.1426 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5503 -0.4237 -2.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 -0.0060 -3.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 1.3155 -3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 0.4898 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 -1.6991 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 0.6779 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 0.7812 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 1.8750 0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -0.8930 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 0.3504 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4241 -0.1608 3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7737 1.8675 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9156 2.5136 2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4421 3.1828 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 1.8881 2.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -0.9624 2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 -1.4093 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3624 -2.8425 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 -3.2465 -1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8716 -4.0064 -3.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 -1.6201 -3.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 0.4581 -2.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 1 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 24 26 1 0 26 27 1 0 24 28 1 0 28 29 1 0 18 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 10 2 1 0 34 16 1 0 28 21 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 6 40 1 0 6 41 1 0 8 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 14 54 1 0 16 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 21 59 1 0 23 60 1 0 23 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 27 65 1 0 28 66 1 0 29 67 1 0 30 68 1 0 31 69 1 0 32 70 1 0 33 71 1 0 34 72 1 0 35 73 1 0 M END