Mol:FL5FCCGA0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
− | -3.0093 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0093 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0093 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0093 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2948 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2948 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5803 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5803 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5803 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5803 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2948 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2948 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8659 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8659 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1514 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1514 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1514 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1514 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8659 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8659 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8659 -1.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8659 -1.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5628 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5628 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2910 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2910 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0192 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0192 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0192 2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0192 2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2910 2.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2910 2.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5628 2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5628 2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2948 -1.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2948 -1.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7094 2.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7094 2.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8018 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8018 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3996 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3996 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1731 -0.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1731 -0.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9514 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9514 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3538 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3538 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5801 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5801 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9910 0.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9910 0.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8226 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8226 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1514 0.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1514 0.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6903 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6903 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0254 -2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0254 -2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8622 -2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8622 -2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3924 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3924 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0482 -1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0482 -1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2918 -1.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2918 -1.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7381 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7381 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1184 -3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1184 -3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3675 -2.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3675 -2.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1060 -0.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1060 -0.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6112 -0.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6112 -0.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2910 3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2910 3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0286 -2.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0286 -2.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0507 -1.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0507 -1.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5802 -2.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5802 -2.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7254 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7254 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3675 2.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3675 2.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 31 36 1 0 0 0 0 | + | 31 36 1 0 0 0 0 |
− | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 38 29 1 0 0 0 0 | + | 38 29 1 0 0 0 0 |
− | 21 39 1 0 0 0 0 | + | 21 39 1 0 0 0 0 |
− | 39 8 1 0 0 0 0 | + | 39 8 1 0 0 0 0 |
− | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
− | 30 41 1 0 0 0 0 | + | 30 41 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 1 44 1 0 0 0 0 | + | 1 44 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 42 43 | + | M SAL 1 2 42 43 |
− | M SBL 1 1 47 | + | M SBL 1 1 47 |
− | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
− | M SBV 1 47 0.6874 -0.5177 | + | M SBV 1 47 0.6874 -0.5177 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 44 45 | + | M SAL 2 2 44 45 |
− | M SBL 2 1 49 | + | M SBL 2 1 49 |
− | M SMT 2 ^ OCH3 | + | M SMT 2 ^ OCH3 |
− | M SBV 2 49 0.7162 -0.4135 | + | M SBV 2 49 0.7162 -0.4135 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FCCGA0003 | + | ID FL5FCCGA0003 |
− | FORMULA C28H32O17 | + | FORMULA C28H32O17 |
− | EXACTMASS 640.163949598 | + | EXACTMASS 640.163949598 |
− | AVERAGEMASS 640.54348 | + | AVERAGEMASS 640.54348 |
− | SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(C(O)3)OC(COC(C(O)4)OC(CO)C(O)C4O)C(O)C3O)c1)O | + | SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(C(O)3)OC(COC(C(O)4)OC(CO)C(O)C4O)C(O)C3O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.0093 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0093 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 1.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -1.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 2.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 2.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 -1.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 2.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8018 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 -0.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3538 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 0.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1514 0.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 -2.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8622 -2.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -1.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 -2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3675 -2.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -0.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -0.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 3.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 -2.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 -1.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 -2.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 1.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 2.4111 0.0000 C 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 38 29 1 0 0 0 0 21 39 1 0 0 0 0 39 8 1 0 0 0 0 16 40 1 0 0 0 0 30 41 1 0 0 0 0 42 43 1 0 0 0 0 35 42 1 0 0 0 0 44 45 1 0 0 0 0 1 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 42 43 M SBL 1 1 47 M SMT 1 ^ CH2OH M SBV 1 47 0.6874 -0.5177 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 44 45 M SBL 2 1 49 M SMT 2 ^ OCH3 M SBV 2 49 0.7162 -0.4135 S SKP 5 ID FL5FCCGA0003 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES c(c(OC)1)c(c(C2=O)c(OC(c(c5)cc(c(c5)O)O)=C2OC(C(O)3)OC(COC(C(O)4)OC(CO)C(O)C4O)C(O)C3O)c1)O M END