Mol:FL7AAGGL0053
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 94102 0 0 0 0 0 0 0 0999 V2000 -6.1585 1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1585 0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 0.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 1.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 1.4635 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -2.5241 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 2.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 2.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 2.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 -0.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7385 1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -0.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 3.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 -2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -2.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 -1.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5953 -1.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 -1.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9544 -2.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3909 -2.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 -2.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 -1.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1927 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 0.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 -0.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -1.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5839 -1.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 -0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 -0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3955 -3.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1228 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6597 -2.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3131 -2.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0404 -1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5774 -1.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1357 -1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 5.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6882 4.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 3.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 4.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6199 5.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 6.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1885 5.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 4.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 5.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 6.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 -3.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2123 -2.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -1.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 -2.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 -2.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 -1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5102 -1.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -4.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -4.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 -3.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3286 -2.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 -2.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 -3.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -3.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 -4.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -4.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -3.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 -5.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 -6.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 -5.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -4.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1859 -4.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6015 -5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4264 -5.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8358 -4.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 -4.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -4.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6597 -4.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 18 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 22 1 0 0 0 0 38 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 29 1 0 0 0 0 51 52 1 1 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 51 1 0 0 0 0 51 57 1 0 0 0 0 52 58 1 0 0 0 0 53 59 1 0 0 0 0 56 60 1 0 0 0 0 60 61 1 0 0 0 0 21 54 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 66 1 0 0 0 0 69 72 1 0 0 0 0 43 62 1 0 0 0 0 73 74 1 1 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 73 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 73 81 1 0 0 0 0 74 82 1 0 0 0 0 75 83 1 0 0 0 0 76 72 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 86 87 2 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 89 90 1 0 0 0 0 90 91 2 0 0 0 0 91 92 1 0 0 0 0 92 93 2 0 0 0 0 93 88 1 0 0 0 0 91 94 1 0 0 0 0 80 84 1 0 0 0 0 S SKP 8 ID FL7AAGGL0053 KNApSAcK_ID C00014804 NAME Ternatin C1 CAS_RN 215378-73-7 FORMULA C60H65O34 EXACTMASS 1329.335724228 AVERAGEMASS 1330.1377000000002 SMILES c(c3C=CC(OCC(C(O)9)OC(C(O)C9O)Oc(c(O)4)cc(c([o+1]7)c(OC(C8O)OC(C(O)C8O)COC(CC(=O)O)=O)cc(c67)c(cc(c6)O)O)cc4OC(C(O)5)OC(CO)C(O)C5O)=O)cc(cc3)OC(O1)C(C(C(C1COC(=O)C=Cc(c2)ccc(c2)O)O)O)O M END