Mol:FL3FAACS0038
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3842 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3842 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3842 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3842 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6698 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0447 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0447 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0447 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0447 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6698 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7592 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7592 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4736 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4736 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4736 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4736 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7592 -0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7592 -0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7592 -2.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7592 -2.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0984 -0.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0984 -0.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4371 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4371 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2149 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2149 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8849 1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8849 1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8761 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8761 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2811 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2811 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6728 1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6728 1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2056 2.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 2.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2149 2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2149 2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3435 0.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3435 0.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6698 -2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 -2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2673 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2673 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0202 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0202 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7730 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7730 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7730 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7730 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0202 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0202 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2673 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2673 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5254 0.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5254 0.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8655 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8655 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3888 -0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3888 -0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7023 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7023 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0400 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0400 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5214 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5214 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1219 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1219 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5254 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5254 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1320 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1320 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9182 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9182 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2014 2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2014 2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8220 1.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8220 1.9749 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 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
− | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
− | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 33 21 1 0 0 0 0 | + | 33 21 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 18 39 1 0 0 0 0 | + | 18 39 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 44 -0.4713 -0.4713 | + | M SBV 1 44 -0.4713 -0.4713 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL3FAACS0038 | + | ID FL3FAACS0038 |
− | FORMULA C26H28O14 | + | FORMULA C26H28O14 |
− | EXACTMASS 564.147905604 | + | EXACTMASS 564.147905604 |
− | AVERAGEMASS 564.49212 | + | AVERAGEMASS 564.49212 |
− | SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1 | + | SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.3842 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3842 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0447 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -0.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -2.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0984 -0.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8761 0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 2.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2149 2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 0.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 -2.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2673 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2673 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 0.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 0.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 0.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 0.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 -0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 1.9749 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 21 1 0 0 0 0 39 40 1 0 0 0 0 18 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -0.4713 -0.4713 S SKP 5 ID FL3FAACS0038 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES OC(C(O)1)C(O)COC(OC(C2O)C(c(c34)c(O)cc(c(C(C=C(c(c5)ccc(O)c5)O4)=O)3)O)OC(C(O)2)CO)1 M END