Mol:FL5FAAGL0060
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.4729 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4729 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2011 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2011 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.4729 1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4729 1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1128 -2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1128 -2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9427 1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9427 1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9426 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9426 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5.1553 -1.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1553 -1.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.7147 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7147 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5175 -3.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5175 -3.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1033 -3.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1033 -3.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4.0546 -2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0546 -2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4460 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4460 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7824 -4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7824 -4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.0438 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0438 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2543 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2543 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -6.2566 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.2566 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6225 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6225 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3054 -0.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3054 -0.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1032 3.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1032 3.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3933 3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3933 3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3267 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3267 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9133 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9133 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6231 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6231 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6899 2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6899 2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2038 4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2038 4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6435 3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6435 3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4903 2.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4903 2.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1909 -3.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1909 -3.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6514 -3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6514 -3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0988 -3.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0988 -3.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2476 2.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2476 2.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4773 3.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4773 3.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2500 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2500 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.4773 0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.4773 0.7265 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 |
| − | 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 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 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 39 30 1 0 0 0 0 | + | 39 30 1 0 0 0 0 |
| − | 22 40 1 0 0 0 0 | + | 22 40 1 0 0 0 0 |
| − | 40 8 1 0 0 0 0 | + | 40 8 1 0 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 44 43 1 1 0 0 0 | + | 44 43 1 1 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 41 1 0 0 0 0 | + | 46 41 1 0 0 0 0 |
| − | 41 47 1 0 0 0 0 | + | 41 47 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 18 1 0 0 0 0 | + | 44 18 1 0 0 0 0 |
| − | 50 51 1 1 0 0 0 | + | 50 51 1 1 0 0 0 |
| − | 51 52 1 1 0 0 0 | + | 51 52 1 1 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 50 1 0 0 0 0 | + | 55 50 1 0 0 0 0 |
| − | 50 56 1 0 0 0 0 | + | 50 56 1 0 0 0 0 |
| − | 51 57 1 0 0 0 0 | + | 51 57 1 0 0 0 0 |
| − | 52 58 1 0 0 0 0 | + | 52 58 1 0 0 0 0 |
| − | 20 53 1 0 0 0 0 | + | 20 53 1 0 0 0 0 |
| − | 31 59 1 0 0 0 0 | + | 31 59 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 36 60 1 0 0 0 0 | + | 36 60 1 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 55 62 1 0 0 0 0 | + | 55 62 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 46 64 1 0 0 0 0 | + | 46 64 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 60 61 | + | M SAL 1 2 60 61 |
| − | M SBL 1 1 67 | + | M SBL 1 1 67 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 67 0.7947 -0.3016 | + | M SBV 1 67 0.7947 -0.3016 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 62 63 | + | M SAL 2 2 62 63 |
| − | M SBL 2 1 69 | + | M SBL 2 1 69 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 69 -0.5577 -0.1827 | + | M SBV 2 69 -0.5577 -0.1827 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 64 65 | + | M SAL 3 2 64 65 |
| − | M SBL 3 1 71 | + | M SBL 3 1 71 |
| − | M SMT 3 ^ CH2OH | + | M SMT 3 ^ CH2OH |
| − | M SBV 3 71 0.7063 -0.6153 | + | M SBV 3 71 0.7063 -0.6153 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0060 | + | ID FL5FAAGL0060 |
| − | FORMULA C39H50O26 | + | FORMULA C39H50O26 |
| − | EXACTMASS 934.2590317720001 | + | EXACTMASS 934.2590317720001 |
| − | AVERAGEMASS 934.7987 | + | AVERAGEMASS 934.7987 |
| − | SMILES c(c6OC(O7)C(C(O)C(C(CO)7)O)O)cc(cc6)C(O1)=C(OC(O4)C(C(O)C(O)C4COC(C(O)5)OC(C(O)C(O)5)CO)O)C(c(c(O)2)c1cc(OC(O3)C(O)C(C(O)C3CO)O)c2)=O | + | SMILES c(c6OC(O7)C(C(O)C(C(CO)7)O)O)cc(cc6)C(O1)=C(OC(O4)C(C(O)C(O)C4COC(C(O)5)OC(C(O)C(O)5)CO)O)C(c(c(O)2)c1cc(OC(O3)C(O)C(C(O)C3CO)O)c2)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-1.8272 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8272 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1128 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3983 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3983 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1128 -0.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3162 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -1.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3162 -0.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3162 -2.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 -0.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2011 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2011 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4729 1.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7448 0.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5414 -0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1128 -2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9427 1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 -1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3139 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0920 -1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4944 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7209 -1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1423 -1.3985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1696 -0.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1553 -1.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8239 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7147 -3.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5175 -3.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1033 -3.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7903 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0546 -2.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4460 -3.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7824 -4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9595 -3.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2519 -2.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8802 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4301 -0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8619 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0438 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2543 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8279 0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5438 -0.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2566 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6225 -0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3054 -0.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1032 3.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3933 3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3267 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9133 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6231 2.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6899 2.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2038 4.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6435 3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4903 2.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1909 -3.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6514 -3.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0988 -3.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2476 2.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4773 3.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4773 0.7265 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
39 30 1 0 0 0 0
22 40 1 0 0 0 0
40 8 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 18 1 0 0 0 0
50 51 1 1 0 0 0
51 52 1 1 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 50 1 0 0 0 0
50 56 1 0 0 0 0
51 57 1 0 0 0 0
52 58 1 0 0 0 0
20 53 1 0 0 0 0
31 59 1 0 0 0 0
60 61 1 0 0 0 0
36 60 1 0 0 0 0
62 63 1 0 0 0 0
55 62 1 0 0 0 0
64 65 1 0 0 0 0
46 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 60 61
M SBL 1 1 67
M SMT 1 ^ CH2OH
M SBV 1 67 0.7947 -0.3016
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 62 63
M SBL 2 1 69
M SMT 2 CH2OH
M SBV 2 69 -0.5577 -0.1827
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 64 65
M SBL 3 1 71
M SMT 3 ^ CH2OH
M SBV 3 71 0.7063 -0.6153
S SKP 5
ID FL5FAAGL0060
FORMULA C39H50O26
EXACTMASS 934.2590317720001
AVERAGEMASS 934.7987
SMILES c(c6OC(O7)C(C(O)C(C(CO)7)O)O)cc(cc6)C(O1)=C(OC(O4)C(C(O)C(O)C4COC(C(O)5)OC(C(O)C(O)5)CO)O)C(c(c(O)2)c1cc(OC(O3)C(O)C(C(O)C3CO)O)c2)=O
M END
