Mol:FL7AAHGL0016
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 |
| − | -1.7277 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0131 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0131 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0131 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0131 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4421 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4421 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4421 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4421 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2986 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2986 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4160 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4160 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4160 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4160 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2986 2.1833 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.2986 2.1833 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0966 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0966 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7798 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7798 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4628 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4628 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4628 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4628 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7798 3.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7798 3.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0966 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0966 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7751 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7751 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0267 3.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0267 3.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0267 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0267 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7277 -0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7277 -0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0846 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0846 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9756 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9756 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0152 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0152 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3359 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3359 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0962 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0962 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1358 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1358 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2152 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2152 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7500 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7500 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2967 -1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2967 -1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6119 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6119 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1690 -0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1690 -0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3315 4.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3315 4.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0100 1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0100 1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3313 -3.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3313 -3.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6229 -3.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6229 -3.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7316 -2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7316 -2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3140 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3140 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3598 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3598 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2511 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2511 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2667 -4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2667 -4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3180 -3.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3180 -3.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4143 -2.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4143 -2.2224 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 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 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 17 33 1 0 0 0 0 | + | 17 33 1 0 0 0 0 |
| − | 13 34 1 0 0 0 0 | + | 13 34 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 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 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
| − | 38 32 1 0 0 0 0 | + | 38 32 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAHGL0016 | + | ID FL7AAHGL0016 |
| − | FORMULA C27H31O16 | + | FORMULA C27H31O16 |
| − | EXACTMASS 611.161209944 | + | EXACTMASS 611.161209944 |
| − | AVERAGEMASS 611.52544 | + | AVERAGEMASS 611.52544 |
| − | SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(OC)c(c4O)O)[o+1]c(c3)c2c(cc3O)O)OC1CO)O | + | SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(OC)c(c4O)O)[o+1]c(c3)c2c(cc3O)O)OC1CO)O |
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
-1.7277 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0131 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0131 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4421 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2986 2.1833 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0966 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7798 3.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7751 3.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0267 3.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0267 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -0.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0846 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9756 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0152 -1.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3359 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1358 -0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2152 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2967 -1.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1690 -0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3315 4.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0100 1.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3313 -3.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6229 -3.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7316 -2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 -1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3598 -1.8014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2511 -2.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2667 -4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 -3.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4143 -2.2224 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
15 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
1 20 1 0 0 0 0
8 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
21 25 1 0 0 0 0
17 33 1 0 0 0 0
13 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
38 32 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAHGL0016
FORMULA C27H31O16
EXACTMASS 611.161209944
AVERAGEMASS 611.52544
SMILES C(C(O)1)(C(OC(C5O)OCC(C5O)O)C(Oc(c2)c(c(c4)cc(OC)c(c4O)O)[o+1]c(c3)c2c(cc3O)O)OC1CO)O
M END
