Mol:FL5FACGL0070
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
− | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
− | 33 31 1 0 0 0 0 | + | 33 31 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 32 1 0 0 0 0 | + | 41 32 1 0 0 0 0 |
− | 40 42 2 0 0 0 0 | + | 40 42 2 0 0 0 0 |
− | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
− | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
− | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
− | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
− | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
− | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
− | 53 52 1 1 0 0 0 | + | 53 52 1 1 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
− | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
− | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
− | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
− | 57 52 1 1 0 0 0 | + | 57 52 1 1 0 0 0 |
− | 56 58 1 0 0 0 0 | + | 56 58 1 0 0 0 0 |
− | 55 59 1 0 0 0 0 | + | 55 59 1 0 0 0 0 |
− | 54 60 1 0 0 0 0 | + | 54 60 1 0 0 0 0 |
− | 18 53 1 0 0 0 0 | + | 18 53 1 0 0 0 0 |
− | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
− | 28 61 1 0 0 0 0 | + | 28 61 1 0 0 0 0 |
− | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
− | 57 63 1 0 0 0 0 | + | 57 63 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 61 62 | + | M SAL 1 2 61 62 |
− | M SBL 1 1 68 | + | M SBL 1 1 68 |
− | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
− | M SBV 1 68 0.6347 0.4198 | + | M SBV 1 68 0.6347 0.4198 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 63 64 | + | M SAL 2 2 63 64 |
− | M SBL 2 1 70 | + | M SBL 2 1 70 |
− | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
− | M SBV 2 70 0.5371 -0.4852 | + | M SBV 2 70 0.5371 -0.4852 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FACGL0070 | + | ID FL5FACGL0070 |
− | FORMULA C41H44O23 | + | FORMULA C41H44O23 |
− | EXACTMASS 904.227337714 | + | EXACTMASS 904.227337714 |
− | AVERAGEMASS 904.7742599999999 | + | AVERAGEMASS 904.7742599999999 |
− | SMILES O=C(C=Cc(c7)ccc(c7)O)OC(C1OC(C2O)C(OC(C4=O)=C(Oc(c5)c4c(cc(OC(C(O)6)OC(CO)C(O)C6O)5)O)c(c3)ccc(O)c3O)OC(CO)C(O)2)C(C(CO1)O)O | + | SMILES O=C(C=Cc(c7)ccc(c7)O)OC(C1OC(C2O)C(OC(C4=O)=C(Oc(c5)c4c(cc(OC(C(O)6)OC(CO)C(O)C6O)5)O)c(c3)ccc(O)c3O)OC(CO)C(O)2)C(C(CO1)O)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/ 64 70 0 0 0 0 0 0 0 0999 V2000 -3.0796 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 0.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2217 -0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2217 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 0.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -1.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9488 0.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9488 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 0.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6768 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2845 -0.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 -1.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 2.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 -3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3964 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4237 -1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 -4.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 -3.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 -1.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8278 -2.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7527 -2.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 -3.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -2.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -3.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 -1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 -1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7891 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -1.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 -1.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 -0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4229 -0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 -0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 -0.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 3.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2139 3.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 2.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 4.1548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 3.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 1.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -3.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -3.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5197 3.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4725 2.3809 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 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 21 1 0 0 0 0 16 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 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 20 1 0 0 0 0 32 33 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 32 1 0 0 0 0 37 38 1 0 0 0 0 36 39 1 0 0 0 0 33 31 1 0 0 0 0 40 41 1 0 0 0 0 41 32 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 45 1 0 0 0 0 48 51 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 57 52 1 1 0 0 0 56 58 1 0 0 0 0 55 59 1 0 0 0 0 54 60 1 0 0 0 0 18 53 1 0 0 0 0 61 62 1 0 0 0 0 28 61 1 0 0 0 0 63 64 1 0 0 0 0 57 63 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 61 62 M SBL 1 1 68 M SMT 1 ^ CH2OH M SBV 1 68 0.6347 0.4198 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 63 64 M SBL 2 1 70 M SMT 2 ^ CH2OH M SBV 2 70 0.5371 -0.4852 S SKP 5 ID FL5FACGL0070 FORMULA C41H44O23 EXACTMASS 904.227337714 AVERAGEMASS 904.7742599999999 SMILES O=C(C=Cc(c7)ccc(c7)O)OC(C1OC(C2O)C(OC(C4=O)=C(Oc(c5)c4c(cc(OC(C(O)6)OC(CO)C(O)C6O)5)O)c(c3)ccc(O)c3O)OC(CO)C(O)2)C(C(CO1)O)O M END