Mol:FL5FABGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.7645 2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7645 2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7645 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7645 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4790 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4790 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1933 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1933 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1933 2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1933 2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4790 3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4790 3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0501 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0501 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6644 2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6644 2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3789 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3789 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3789 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3789 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6644 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6644 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0501 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0501 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0931 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0931 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8076 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8076 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8076 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8076 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0931 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0931 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6644 -0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6644 -0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5221 2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5221 2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7277 0.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7277 0.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7940 3.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7940 3.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0931 -0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0931 -0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5221 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5221 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7535 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7535 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0638 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0638 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1697 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1697 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6778 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6778 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1395 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1395 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2454 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2454 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8070 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8070 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1111 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1111 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8101 -2.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8101 -2.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2595 -2.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2595 -2.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9678 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9678 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7721 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7721 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0939 -3.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0939 -3.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3909 -2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3909 -2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0389 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0389 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7172 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7172 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4201 -1.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4201 -1.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6510 -2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6510 -2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6031 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6031 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6139 -3.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6139 -3.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5356 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5356 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 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 |
| − | 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 34 43 1 0 0 0 0 | + | 34 43 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FABGS0010 | + | ID FL5FABGS0010 |
| − | FORMULA C28H32O15 | + | FORMULA C28H32O15 |
| − | EXACTMASS 608.174120354 | + | EXACTMASS 608.174120354 |
| − | AVERAGEMASS 608.54468 | + | AVERAGEMASS 608.54468 |
| − | SMILES OC(C1O)C(OC(C(O)5)C(OC(CO)C(O)5)OC(C(=O)2)=C(c(c4)ccc(c4)OC)Oc(c3)c(c(cc(O)3)O)2)OC(C)C1O | + | SMILES OC(C1O)C(OC(C(O)5)C(OC(CO)C(O)5)OC(C(=O)2)=C(c(c4)ccc(c4)OC)Oc(c3)c(c(cc(O)3)O)2)OC(C)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
0.7645 2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 2.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 3.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0501 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6644 2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3789 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3789 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6644 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0501 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0931 2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8076 1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8076 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0931 0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6644 -0.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5221 2.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7277 0.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7940 3.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0931 -0.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5221 2.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7535 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 -1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1697 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6778 -0.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1395 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2454 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8070 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1111 -2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8101 -2.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2595 -2.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9678 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0939 -3.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 -2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0389 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7172 -1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4201 -1.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6510 -2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6031 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6139 -3.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5356 -2.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
20 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
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 33 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 5
ID FL5FABGS0010
FORMULA C28H32O15
EXACTMASS 608.174120354
AVERAGEMASS 608.54468
SMILES OC(C1O)C(OC(C(O)5)C(OC(CO)C(O)5)OC(C(=O)2)=C(c(c4)ccc(c4)OC)Oc(c3)c(c(cc(O)3)O)2)OC(C)C1O
M END
