Mol:FL7AAIGL0028
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 62 67 0 0 0 0 0 0 0 0999 V2000 | + | 62 67 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.4497 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4497 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.0713 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0713 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0713 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0713 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3596 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3596 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6479 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6479 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8104 3.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8104 3.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6484 2.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6484 2.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2949 0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2949 0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7636 0.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7636 0.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3777 4.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3777 4.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9626 5.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9626 5.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8467 2.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8467 2.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5431 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5431 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0214 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0214 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1239 -1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1239 -1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4480 -0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4480 -0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4866 -0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4866 -0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3840 -0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3840 -0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0601 -0.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0601 -0.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5058 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5058 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3742 -0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3742 -0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5470 -1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5470 -1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9319 -1.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9319 -1.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5191 -1.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5191 -1.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9958 0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9958 0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0352 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0352 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9339 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9339 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4766 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4766 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4372 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4372 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5385 -0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5385 -0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2663 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2663 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3617 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3617 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7071 -1.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7071 -1.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1834 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1834 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1627 -2.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1627 -2.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7570 -3.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7570 -3.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5690 -4.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5690 -4.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3914 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3914 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3944 -4.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3944 -4.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5826 -3.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5826 -3.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7601 -3.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7601 -3.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5722 -4.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5722 -4.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1957 -5.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1957 -5.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1100 -4.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1100 -4.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8766 -4.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8766 -4.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0434 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0434 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0434 0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0434 0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6597 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6597 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2032 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2032 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.7071 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.7071 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2032 0.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2032 0.1088 0.0000 O 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 |
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| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
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| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
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| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 19 28 1 0 0 0 0 | + | 19 28 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 40 39 1 1 0 0 0 | + | 40 39 1 1 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 20 37 1 0 0 0 0 | + | 20 37 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 39 45 1 0 0 0 0 | + | 39 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 1 0 0 0 | + | 48 49 1 1 0 0 0 |
| − | 50 49 1 1 0 0 0 | + | 50 49 1 1 0 0 0 |
| − | 51 50 1 1 0 0 0 | + | 51 50 1 1 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 49 54 1 0 0 0 0 | + | 49 54 1 0 0 0 0 |
| − | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
| − | 48 56 1 0 0 0 0 | + | 48 56 1 0 0 0 0 |
| − | 32 57 1 0 0 0 0 | + | 32 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 57 59 1 0 0 0 0 | + | 57 59 1 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 60 62 2 0 0 0 0 | + | 60 62 2 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0028 | + | ID FL7AAIGL0028 |
| − | FORMULA C38H47O24 | + | FORMULA C38H47O24 |
| − | EXACTMASS 887.245727432 | + | EXACTMASS 887.245727432 |
| − | AVERAGEMASS 887.76538 | + | AVERAGEMASS 887.76538 |
| − | SMILES C(CC(O)=O)(OCC(O1)C(O)C(C(O)C1Oc(c2)c(c4)c([o+1]c(c(OC(C5O)OC(COC(C6O)OC(C)C(C6O)O)C(C5O)O)4)c(c3)cc(c(c(OC)3)O)OC)cc2O)O)=O | + | SMILES C(CC(O)=O)(OCC(O1)C(O)C(C(O)C1Oc(c2)c(c4)c([o+1]c(c(OC(C5O)OC(COC(C6O)OC(C)C(C6O)O)C(C5O)O)4)c(c3)cc(c(c(OC)3)O)OC)cc2O)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
-0.2949 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4497 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4497 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2949 2.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0393 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0393 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1941 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1941 2.6188 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.6479 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 2.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0713 2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0713 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6479 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8104 3.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6484 2.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2949 0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7636 0.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3777 4.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 5.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8467 2.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5431 2.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0214 -1.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 -1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4480 -0.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4866 -0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0601 -0.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5058 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3742 -0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5470 -1.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9319 -1.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5191 -1.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9958 0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0352 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9339 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4766 -1.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4372 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5385 -0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2663 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3617 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7071 -1.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1834 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1627 -2.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7570 -3.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5690 -4.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3914 -4.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3944 -4.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5826 -3.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 -3.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5722 -4.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1957 -5.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1100 -4.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8766 -4.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0434 -0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0434 0.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6597 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2032 -0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7071 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2032 0.1088 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
2 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 3 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
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
19 28 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
20 37 1 0 0 0 0
36 42 1 0 0 0 0
41 43 1 0 0 0 0
40 44 1 0 0 0 0
39 45 1 0 0 0 0
45 46 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
46 51 1 0 0 0 0
50 53 1 0 0 0 0
49 54 1 0 0 0 0
47 55 1 0 0 0 0
48 56 1 0 0 0 0
32 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 2 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0028
FORMULA C38H47O24
EXACTMASS 887.245727432
AVERAGEMASS 887.76538
SMILES C(CC(O)=O)(OCC(O1)C(O)C(C(O)C1Oc(c2)c(c4)c([o+1]c(c(OC(C5O)OC(COC(C6O)OC(C)C(C6O)O)C(C5O)O)4)c(c3)cc(c(c(OC)3)O)OC)cc2O)O)=O
M END
