Mol:FL7AACGL0012
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5041 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5041 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5041 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5041 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7896 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7896 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0753 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0753 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0752 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0752 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7898 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7898 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6392 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6392 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3537 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3537 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3538 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3538 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6392 1.4087 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.6392 1.4087 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 2.0680 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0680 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7962 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7962 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5244 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5244 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5244 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5244 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7962 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7962 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0680 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0680 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2523 2.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2523 2.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2183 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2183 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7896 -1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7896 -1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7962 3.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7962 3.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2573 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2573 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4615 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4615 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6194 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6194 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4378 -1.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4378 -1.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9436 -1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9436 -1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7857 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7857 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9674 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9674 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9342 -0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9342 -0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9036 -1.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9036 -1.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9628 -2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9628 -2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7337 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7337 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9516 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9516 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5614 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5614 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8202 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8202 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6022 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6022 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9925 1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9925 1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.7900 2.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7900 2.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1674 2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1674 2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9628 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9628 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3365 0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3365 0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5897 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5897 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9159 -3.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9159 -3.5105 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 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 5 1 0 0 0 0 | + | 10 5 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
− | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
− | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 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 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 31 1 1 0 0 0 | + | 36 31 1 1 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
− | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
− | 32 18 1 0 0 0 0 | + | 32 18 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 41 42 | + | M SAL 1 2 41 42 |
− | M SBL 1 1 46 | + | M SBL 1 1 46 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 46 -0.6461 0.6569 | + | M SBV 1 46 -0.6461 0.6569 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AACGL0012 | + | ID FL7AACGL0012 |
− | FORMULA C27H31O15 | + | FORMULA C27H31O15 |
− | EXACTMASS 595.166295322 | + | EXACTMASS 595.166295322 |
− | AVERAGEMASS 595.52604 | + | AVERAGEMASS 595.52604 |
− | SMILES Oc(c(O)5)ccc(c5)c(c3OC(O4)C(C(O)C(C4CO)O)O)[o+1]c(c1c3)cc(OC(O2)C(O)C(O)C(O)C2C)cc1O | + | SMILES Oc(c(O)5)ccc(c5)c(c3OC(O4)C(C(O)C(C4CO)O)O)[o+1]c(c1c3)cc(OC(O2)C(O)C(O)C(O)C2C)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -1.5041 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 0.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 1.4087 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.0680 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 0.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5244 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5244 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 2.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 2.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7896 -1.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 3.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4378 -1.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 -1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7857 -1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9342 -0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 -1.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -2.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5614 1.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8202 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6022 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9925 1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 2.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1674 2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3365 0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5897 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9159 -3.5105 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 22 23 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 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 21 1 0 0 0 0 21 8 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 18 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.6461 0.6569 S SKP 5 ID FL7AACGL0012 FORMULA C27H31O15 EXACTMASS 595.166295322 AVERAGEMASS 595.52604 SMILES Oc(c(O)5)ccc(c5)c(c3OC(O4)C(C(O)C(C4CO)O)O)[o+1]c(c1c3)cc(OC(O2)C(O)C(O)C(O)C2C)cc1O M END