Mol:FL5FACGA0029
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 46 0 0 0 0 0 0 0 0999 V2000 | + | 43 46 0 0 0 0 0 0 0 0999 V2000 |
− | -4.4387 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4387 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4387 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4387 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8824 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8824 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3261 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3261 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3261 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3261 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8824 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8824 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7698 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7698 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2135 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2135 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2135 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2135 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7698 1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7698 1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7698 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7698 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6574 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6574 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0904 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0904 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5234 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5234 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5234 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5234 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0904 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0904 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6574 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6574 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5653 -0.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5653 -0.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5199 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5199 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9076 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9076 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1621 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1621 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5879 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5879 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9756 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9756 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2301 -0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2301 -0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2470 -0.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2470 -0.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4989 0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4989 0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9756 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9756 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0434 2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0434 2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8824 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8824 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.0496 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0496 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2168 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2168 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5624 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5624 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5632 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5632 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9074 -2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9074 -2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3057 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3057 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0904 2.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0904 2.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0276 -2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0276 -2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7016 -2.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7016 -2.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0276 -1.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0276 -1.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3756 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3756 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0496 -2.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0496 -2.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3756 -1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3756 -1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0276 -2.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0276 -2.7755 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 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 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
− | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 40 42 2 0 0 0 0 | + | 40 42 2 0 0 0 0 |
− | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGA0029 | + | ID FL5FACGA0029 |
− | KNApSAcK_ID C00005948 | + | KNApSAcK_ID C00005948 |
− | NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] | + | NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] |
− | CAS_RN 106915-93-9 | + | CAS_RN 106915-93-9 |
− | FORMULA C27H28O16 | + | FORMULA C27H28O16 |
− | EXACTMASS 608.137734848 | + | EXACTMASS 608.137734848 |
− | AVERAGEMASS 608.50162 | + | AVERAGEMASS 608.50162 |
− | SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)O | + | SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 46 0 0 0 0 0 0 0 0999 V2000 -4.4387 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4387 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 -0.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 0.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 -0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5234 1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5234 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 -0.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 -0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 0.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 0.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0434 2.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8824 -0.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0496 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2168 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 -1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 -2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 2.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 -2.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -1.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 -2.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -1.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -2.7755 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 16 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 37 43 1 0 0 0 0 S SKP 8 ID FL5FACGA0029 KNApSAcK_ID C00005948 NAME Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] CAS_RN 106915-93-9 FORMULA C27H28O16 EXACTMASS 608.137734848 AVERAGEMASS 608.50162 SMILES OC(C(O)1)C(C(OC1OC(=C2c(c4)ccc(O)c4O)C(c(c(O)3)c(cc(O)c3)O2)=O)COC(=O)CC(CC(O)=O)(C)O)O M END