Mol:FLIAEGGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4594 1.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4594 1.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9031 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9031 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3468 1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3468 1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2093 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2093 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7861 -0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7861 -0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3628 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3628 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3628 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3628 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7861 1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7861 1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9029 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9029 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3468 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3468 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7861 -0.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7861 -0.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9391 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9391 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9391 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9391 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4905 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4905 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0418 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0418 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4905 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4905 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5633 0.9285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5633 0.9285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -3.2170 0.4714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.2170 0.4714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.7184 0.6653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7184 0.6653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.1988 0.6596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1988 0.6596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -2.5869 1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5869 1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0963 0.8373 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0963 0.8373 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.9503 1.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9503 1.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5439 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5439 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4328 0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4328 0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3573 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3573 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5932 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5932 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6173 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9078 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9078 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7738 -1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7738 -1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2957 1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2957 1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2510 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2510 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0517 -1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0517 -1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7662 -1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7662 -1.7141 0.0000 C 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 7 1 0 0 0 0 | + | 6 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 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
− | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
− | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
− | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
− | 11 28 1 0 0 0 0 | + | 11 28 1 0 0 0 0 |
− | 17 29 1 0 0 0 0 | + | 17 29 1 0 0 0 0 |
− | 10 30 1 0 0 0 0 | + | 10 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 24 34 1 0 0 0 0 | + | 24 34 1 0 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 15 36 1 0 0 0 0 | + | 15 36 1 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 34 35 | + | M SAL 4 2 34 35 |
− | M SBL 4 1 37 | + | M SBL 4 1 37 |
− | M SMT 4 CH2OH | + | M SMT 4 CH2OH |
− | M SVB 4 37 -3.2957 1.7141 | + | M SVB 4 37 -3.2957 1.7141 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 36 37 | + | M SAL 3 2 36 37 |
− | M SBL 3 1 39 | + | M SBL 3 1 39 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 39 2.0517 -1.3016 | + | M SVB 3 39 2.0517 -1.3016 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
− | M SBL 2 1 35 | + | M SBL 2 1 35 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 35 3.2359 -1.0304 | + | M SVB 2 35 3.2359 -1.0304 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 33 -1.6173 0.2611 | + | M SVB 1 33 -1.6173 0.2611 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAEGGS0001 | + | ID FLIAEGGS0001 |
− | KNApSAcK_ID C00010137 | + | KNApSAcK_ID C00010137 |
− | NAME Irigenin 7-O-glucoside;Iridin | + | NAME Irigenin 7-O-glucoside;Iridin |
− | CAS_RN 491-74-7 | + | CAS_RN 491-74-7 |
− | FORMULA C24H26O13 | + | FORMULA C24H26O13 |
− | EXACTMASS 522.137340918 | + | EXACTMASS 522.137340918 |
− | AVERAGEMASS 522.45544 | + | AVERAGEMASS 522.45544 |
− | SMILES [C@@H](Oc(c2OC)cc(O4)c(C(=O)C(=C4)c(c3)cc(c(OC)c(OC)3)O)c2O)([C@H]1O)OC(CO)[C@H](O)[C@@H]1O | + | SMILES [C@@H](Oc(c2OC)cc(O4)c(C(=O)C(=C4)c(c3)cc(c(OC)c(OC)3)O)c2O)([C@H]1O)OC(CO)[C@H](O)[C@@H]1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -1.4594 1.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -0.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 1.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -0.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4905 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5633 0.9285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2170 0.4714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7184 0.6653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1988 0.6596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5869 1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0963 0.8373 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9503 1.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 0.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5932 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 0.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6173 -0.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9078 -1.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7738 -1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 -1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 -1.7141 0.0000 C 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 1 1 0 0 0 0 11 28 1 0 0 0 0 17 29 1 0 0 0 0 10 30 1 0 0 0 0 30 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 24 34 1 0 0 0 0 34 35 1 0 0 0 0 15 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 34 35 M SBL 4 1 37 M SMT 4 CH2OH M SVB 4 37 -3.2957 1.7141 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 36 37 M SBL 3 1 39 M SMT 3 OCH3 M SVB 3 39 2.0517 -1.3016 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 3.2359 -1.0304 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 -1.6173 0.2611 S SKP 8 ID FLIAEGGS0001 KNApSAcK_ID C00010137 NAME Irigenin 7-O-glucoside;Iridin CAS_RN 491-74-7 FORMULA C24H26O13 EXACTMASS 522.137340918 AVERAGEMASS 522.45544 SMILES [C@@H](Oc(c2OC)cc(O4)c(C(=O)C(=C4)c(c3)cc(c(OC)c(OC)3)O)c2O)([C@H]1O)OC(CO)[C@H](O)[C@@H]1O M END