Mol:FL5FADGL0038
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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− | 0.0792 0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0792 0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4547 1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4547 1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1780 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1780 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4742 2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4742 2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8497 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8497 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.2099 0.4065 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.2099 0.4065 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
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− | 2.7568 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7568 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.2275 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2275 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -1.2469 -2.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2469 -2.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 |
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− | 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 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
− | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
− | 16 44 1 0 0 0 0 | + | 16 44 1 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 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 44 45 | + | M SAL 1 2 44 45 |
− | M SBL 1 1 48 | + | M SBL 1 1 48 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 48 0.9229 2.987 | + | M SVB 1 48 0.9229 2.987 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FADGL0038 | + | ID FL5FADGL0038 |
− | KNApSAcK_ID C00006009 | + | KNApSAcK_ID C00006009 |
− | NAME Isorhamnetin 3-(6''-p-coumarylglucoside) | + | NAME Isorhamnetin 3-(6''-p-coumarylglucoside) |
− | CAS_RN 84534-24-7,110351-14-9 | + | CAS_RN 84534-24-7,110351-14-9 |
− | FORMULA C31H28O14 | + | FORMULA C31H28O14 |
− | EXACTMASS 624.147905604 | + | EXACTMASS 624.147905604 |
− | AVERAGEMASS 624.5456200000001 | + | AVERAGEMASS 624.5456200000001 |
− | SMILES [C@@H]([C@H]1COC(C=Cc(c5)ccc(O)c5)=O)(C(C([C@H](OC(=C3c(c4)cc(c(c4)O)OC)C(c(c(O)2)c(O3)cc(O)c2)=O)O1)O)O)O | + | SMILES [C@@H]([C@H]1COC(C=Cc(c5)ccc(O)c5)=O)(C(C([C@H](OC(=C3c(c4)cc(c(c4)O)OC)C(c(c(O)2)c(O3)cc(O)c2)=O)O1)O)O)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/ 45 49 0 0 0 0 0 0 0 0999 V2000 -2.9580 -0.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5896 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -0.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 0.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 0.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 -1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 2.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4742 2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 1.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 -0.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2099 0.4065 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8223 -0.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5678 -0.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 -0.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7055 0.4065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9600 0.1935 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4829 0.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2288 0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 0.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7753 -1.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 -0.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0249 -1.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7568 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9706 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 -1.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 -2.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 -2.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 -2.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4608 2.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 3.7246 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 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 16 44 1 0 0 0 0 44 45 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 48 M SMT 1 OCH3 M SVB 1 48 0.9229 2.987 S SKP 8 ID FL5FADGL0038 KNApSAcK_ID C00006009 NAME Isorhamnetin 3-(6''-p-coumarylglucoside) CAS_RN 84534-24-7,110351-14-9 FORMULA C31H28O14 EXACTMASS 624.147905604 AVERAGEMASS 624.5456200000001 SMILES [C@@H]([C@H]1COC(C=Cc(c5)ccc(O)c5)=O)(C(C([C@H](OC(=C3c(c4)cc(c(c4)O)OC)C(c(c(O)2)c(O3)cc(O)c2)=O)O1)O)O)O M END