Mol:FL3FAAGN0003
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 |
| − | -0.5810 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5810 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5810 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5810 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0655 -3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0655 -3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7121 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7121 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7121 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7121 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0655 -1.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0655 -1.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3586 -3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3586 -3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0052 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0052 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0052 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0052 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3586 -1.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3586 -1.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3586 -4.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3586 -4.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6515 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6515 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3104 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3104 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9693 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9693 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9693 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9693 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3104 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3104 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6515 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6515 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2273 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2273 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6280 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6280 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0655 -4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0655 -4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6203 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6203 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9486 -2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9486 -2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9812 -2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9812 -2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0477 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0477 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7260 -1.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7260 -1.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7142 -1.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7142 -1.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3489 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3489 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8451 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8451 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1695 -2.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1695 -2.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2550 -1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2550 -1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2535 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2535 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6280 0.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6280 0.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3489 0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3489 0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8523 0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8523 0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8523 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8523 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0774 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0774 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0774 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0774 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3372 3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3372 3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5970 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5970 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5970 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5970 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3372 1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3372 1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3372 4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3372 4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8580 3.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8580 3.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2280 1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2280 1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9242 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9242 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4368 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4368 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4368 -0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4368 -0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7405 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7405 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2280 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2280 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6508 2.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6508 2.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0295 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0295 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7853 1.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7853 1.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0146 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0146 0.2791 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 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 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 19 32 1 0 0 0 0 | + | 19 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
| − | 39 43 1 0 0 0 0 | + | 39 43 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 48 53 1 0 0 0 0 | + | 48 53 1 0 0 0 0 |
| − | 31 47 1 0 0 0 0 | + | 31 47 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAAGN0003 | + | ID FL3FAAGN0003 |
| − | FORMULA C36H36O17 | + | FORMULA C36H36O17 |
| − | EXACTMASS 740.1952497259999 | + | EXACTMASS 740.1952497259999 |
| − | AVERAGEMASS 740.66084 | + | AVERAGEMASS 740.66084 |
| − | SMILES C(O5)(C(C(C(C(COC(O6)C(C(C(C(C)6)O)O)O)5)O)O)O)Oc(c4)cc(O1)c(c4O)C(C=C(c(c2)ccc(OC(C=Cc(c3)ccc(c(O)3)O)=O)c2)1)=O | + | SMILES C(O5)(C(C(C(C(COC(O6)C(C(C(C(C)6)O)O)O)5)O)O)O)Oc(c4)cc(O1)c(c4O)C(C=C(c(c2)ccc(OC(C=Cc(c3)ccc(c(O)3)O)=O)c2)1)=O |
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
-0.5810 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -1.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3586 -3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0052 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0052 -2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3586 -1.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3586 -4.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6515 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9693 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9693 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3104 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6515 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2273 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6280 -0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6203 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9486 -2.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9812 -2.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0477 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7260 -1.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7142 -1.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3489 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8451 -2.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1695 -2.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2550 -1.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2535 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6280 0.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3489 0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8523 0.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8523 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0774 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0774 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3372 4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8580 3.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2280 1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9242 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4368 0.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4368 -0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7405 -0.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2280 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6508 2.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0295 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7853 1.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0146 0.2791 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
20 3 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 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
24 18 1 0 0 0 0
30 31 1 0 0 0 0
19 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
38 42 1 0 0 0 0
39 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
31 47 1 0 0 0 0
S SKP 5
ID FL3FAAGN0003
FORMULA C36H36O17
EXACTMASS 740.1952497259999
AVERAGEMASS 740.66084
SMILES C(O5)(C(C(C(C(COC(O6)C(C(C(C(C)6)O)O)O)5)O)O)O)Oc(c4)cc(O1)c(c4O)C(C=C(c(c2)ccc(OC(C=Cc(c3)ccc(c(O)3)O)=O)c2)1)=O
M END
