Mol:FL5FAAGL0029
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
| − | -4.0602 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0602 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0602 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0602 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3591 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3591 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6580 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6580 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6580 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6580 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3591 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3591 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9568 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9568 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2557 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2557 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2557 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2557 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9568 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9568 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9568 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9568 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5549 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5549 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1597 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1597 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8742 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8742 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8742 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8742 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1597 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1597 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5549 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5549 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3591 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3591 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7610 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7610 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5885 3.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5885 3.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5294 0.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5294 0.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4731 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4731 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3873 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3873 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7302 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7302 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5056 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5056 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4087 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4087 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2483 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2483 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4452 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4452 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3929 -2.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3929 -2.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0028 0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0028 0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9240 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9240 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1244 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1244 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6819 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6819 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4849 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4849 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2596 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2596 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6966 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6966 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9942 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9942 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8775 0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8775 0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7891 0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7891 0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2361 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2361 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9457 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9457 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0314 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0314 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6886 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6886 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9132 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9132 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9314 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9314 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2744 -2.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2744 -2.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9300 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9300 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3203 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3203 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9989 -2.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9989 -2.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5989 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5989 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6030 -2.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6030 -2.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5708 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5708 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7610 0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7610 0.8737 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 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 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 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 |
| − | 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 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 42 41 1 1 0 0 0 | + | 42 41 1 1 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 46 41 1 1 0 0 0 | + | 46 41 1 1 0 0 0 |
| − | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
| − | 44 48 1 0 0 0 0 | + | 44 48 1 0 0 0 0 |
| − | 46 49 1 0 0 0 0 | + | 46 49 1 0 0 0 0 |
| − | 41 50 1 0 0 0 0 | + | 41 50 1 0 0 0 0 |
| − | 42 51 1 0 0 0 0 | + | 42 51 1 0 0 0 0 |
| − | 51 31 1 0 0 0 0 | + | 51 31 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 36 52 1 0 0 0 0 | + | 36 52 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 52 53 | + | M SAL 1 2 52 53 |
| − | M SBL 1 1 58 | + | M SBL 1 1 58 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 58 -0.8742 0.0041 | + | M SBV 1 58 -0.8742 0.0041 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGL0029 | + | ID FL5FAAGL0029 |
| − | FORMULA C33H40O20 | + | FORMULA C33H40O20 |
| − | EXACTMASS 756.21129372 | + | EXACTMASS 756.21129372 |
| − | AVERAGEMASS 756.6587 | + | AVERAGEMASS 756.6587 |
| − | SMILES OC(C(OC(C6O)OC(CO)C(C(O)6)O)1)C(O)C(COC(C(O)5)OC(C)C(O)C(O)5)OC1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(O)cc3O | + | SMILES OC(C(OC(C6O)OC(CO)C(C(O)6)O)1)C(O)C(COC(C(O)5)OC(C)C(O)C(O)5)OC1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(O)cc3O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-4.0602 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0602 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 2.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 1.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2557 1.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 2.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1597 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1597 3.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3591 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7610 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5885 3.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5294 0.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4731 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 -1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4087 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2483 -0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4452 -1.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3929 -2.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0028 0.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9240 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1244 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6819 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4849 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6966 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9942 0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2361 -0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9457 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 -3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6886 -2.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9132 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9314 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2744 -2.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9300 -1.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9989 -2.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5989 -3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 -2.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5708 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7610 0.8737 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
26 21 1 0 0 0 0
25 30 1 0 0 0 0
22 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
30 32 1 0 0 0 0
35 40 1 0 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
46 41 1 1 0 0 0
45 47 1 0 0 0 0
44 48 1 0 0 0 0
46 49 1 0 0 0 0
41 50 1 0 0 0 0
42 51 1 0 0 0 0
51 31 1 0 0 0 0
52 53 1 0 0 0 0
36 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 CH2OH
M SBV 1 58 -0.8742 0.0041
S SKP 5
ID FL5FAAGL0029
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C(OC(C6O)OC(CO)C(C(O)6)O)1)C(O)C(COC(C(O)5)OC(C)C(O)C(O)5)OC1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c2c(O)cc3O
M END
