Mol:FL5FECGS0068
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 48 52 0 0 0 0 0 0 0 0999 V2000 | + | 48 52 0 0 0 0 0 0 0 0999 V2000 |
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− | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
− | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
− | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
− | 30 19 1 0 0 0 0 | + | 30 19 1 0 0 0 0 |
− | 38 39 1 1 0 0 0 | + | 38 39 1 1 0 0 0 |
− | 39 40 1 1 0 0 0 | + | 39 40 1 1 0 0 0 |
− | 41 40 1 1 0 0 0 | + | 41 40 1 1 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
− | 39 47 1 0 0 0 0 | + | 39 47 1 0 0 0 0 |
− | 40 48 1 0 0 0 0 | + | 40 48 1 0 0 0 0 |
− | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FECGS0068 | + | ID FL5FECGS0068 |
− | KNApSAcK_ID C00013958 | + | KNApSAcK_ID C00013958 |
− | NAME Veronicafolin 3-glucosyl-(1->3)-galactoside;Quercetagetin 6,7,3'-trimethyl ether 3-glucosyl-(1->3)-galactoside | + | NAME Veronicafolin 3-glucosyl-(1->3)-galactoside;Quercetagetin 6,7,3'-trimethyl ether 3-glucosyl-(1->3)-galactoside |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C30H36O18 | + | FORMULA C30H36O18 |
− | EXACTMASS 684.190164348 | + | EXACTMASS 684.190164348 |
− | AVERAGEMASS 684.59604 | + | AVERAGEMASS 684.59604 |
− | SMILES COc(c1O)c(OC)cc(O4)c(C(C(=C4c(c5)cc(OC)c(c5)O)OC(O2)C(O)C(OC(C(O)3)OC(C(O)C3O)CO)C(O)C2CO)=O)1 | + | SMILES COc(c1O)c(OC)cc(O4)c(C(C(=C4c(c5)cc(OC)c(c5)O)OC(O2)C(O)C(OC(C(O)3)OC(C(O)C3O)CO)C(O)C2CO)=O)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/ 48 52 0 0 0 0 0 0 0 0999 V2000 2.0910 1.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 2.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 1.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 1.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 1.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7669 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6621 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0524 -0.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 1.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 -0.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 -0.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 3.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 -0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 4.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 -2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 -1.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 -0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 -1.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 -2.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6449 -1.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 -3.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 -3.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 -3.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -2.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7654 -3.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 -2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4022 -2.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -3.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 -3.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5194 -4.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 15 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 18 26 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 1 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 19 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 0 0 0 0 41 36 1 0 0 0 0 S SKP 8 ID FL5FECGS0068 KNApSAcK_ID C00013958 NAME Veronicafolin 3-glucosyl-(1->3)-galactoside;Quercetagetin 6,7,3'-trimethyl ether 3-glucosyl-(1->3)-galactoside CAS_RN - FORMULA C30H36O18 EXACTMASS 684.190164348 AVERAGEMASS 684.59604 SMILES COc(c1O)c(OC)cc(O4)c(C(C(=C4c(c5)cc(OC)c(c5)O)OC(O2)C(O)C(OC(C(O)3)OC(C(O)C3O)CO)C(O)C2CO)=O)1 M END