Mol:FL3FEAGS0032
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
− | -0.7916 -0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7916 -0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7916 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7916 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3405 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3405 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1106 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1106 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1106 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1106 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3405 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3405 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5616 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5616 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0127 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0127 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0127 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0127 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5616 -0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5616 -0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5616 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5616 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4636 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4636 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9233 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9233 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3830 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3830 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3830 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3830 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9233 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9233 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4636 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4636 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3405 -2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3405 -2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2528 -0.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2528 -0.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2774 -1.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2774 -1.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6775 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6775 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1632 1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1632 1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8231 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8231 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8231 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8231 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3373 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3373 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6775 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6775 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8990 2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8990 2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7914 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7914 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5850 0.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5850 0.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1269 1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1269 1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5055 1.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5055 1.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2426 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2426 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4594 1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4594 1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5346 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5346 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9632 -0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9632 -0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5571 -0.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5571 -0.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5951 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5951 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8427 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8427 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5571 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5571 -0.3770 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 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 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 15 38 1 0 0 0 0 | + | 15 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 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 38 39 | + | M SAL 1 2 38 39 |
− | M SBL 1 1 41 | + | M SBL 1 1 41 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 41 -7.7486 5.1739 | + | M SBV 1 41 -7.7486 5.1739 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FEAGS0032 | + | ID FL3FEAGS0032 |
− | KNApSAcK_ID C00004490 | + | KNApSAcK_ID C00004490 |
− | NAME Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside) | + | NAME Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside) |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C26H26O13 | + | FORMULA C26H26O13 |
− | EXACTMASS 546.137340918 | + | EXACTMASS 546.137340918 |
− | AVERAGEMASS 546.4768399999999 | + | AVERAGEMASS 546.4768399999999 |
− | SMILES C(C(OC(C)=O)1)(O)C(O)C(COC(C)=O)OC1Oc(c(O)4)cc(c2c(O)4)OC(c(c3)ccc(c3)OC)=CC2=O | + | SMILES C(C(OC(C)=O)1)(O)C(O)C(COC(C)=O)OC1Oc(c(O)4)cc(c2c(O)4)OC(c(c3)ccc(c3)OC)=CC2=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/ 39 42 0 0 0 0 0 0 0 0999 V2000 -0.7916 -0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7916 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 -0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5616 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 -2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 -0.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2774 -1.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8231 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8231 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 0.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 1.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 -0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5571 -0.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 -0.3770 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 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 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 19 1 1 0 0 0 0 2 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 26 30 1 0 0 0 0 19 24 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 29 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 15 38 1 0 0 0 0 38 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 41 M SMT 1 OCH3 M SBV 1 41 -7.7486 5.1739 S SKP 8 ID FL3FEAGS0032 KNApSAcK_ID C00004490 NAME Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside) CAS_RN - FORMULA C26H26O13 EXACTMASS 546.137340918 AVERAGEMASS 546.4768399999999 SMILES C(C(OC(C)=O)1)(O)C(O)C(COC(C)=O)OC1Oc(c(O)4)cc(c2c(O)4)OC(c(c3)ccc(c3)OC)=CC2=O M END