Mol:FL3FFCGS0021
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 51 55 0 0 0 0 0 0 0 0999 V2000 | + | 51 55 0 0 0 0 0 0 0 0999 V2000 |
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− | -3.7316 -0.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7316 -0.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2793 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2793 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2793 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2793 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8557 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8557 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9580 1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9580 1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8014 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8014 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1412 1.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1412 1.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
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− | 29 31 1 0 0 0 0 | + | 29 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 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
− | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
− | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
− | 40 43 1 0 0 0 0 | + | 40 43 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 |
− | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
− | 45 47 1 0 0 0 0 | + | 45 47 1 0 0 0 0 |
− | 38 28 1 0 0 0 0 | + | 38 28 1 0 0 0 0 |
− | 6 48 1 0 0 0 0 | + | 6 48 1 0 0 0 0 |
− | 36 49 1 0 0 0 0 | + | 36 49 1 0 0 0 0 |
− | 15 50 1 0 0 0 0 | + | 15 50 1 0 0 0 0 |
− | 50 51 1 0 0 0 0 | + | 50 51 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 50 51 | + | M SAL 1 2 50 51 |
− | M SBL 1 1 54 | + | M SBL 1 1 54 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 54 -8.9727 5.2148 | + | M SBV 1 54 -8.9727 5.2148 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FFCGS0021 | + | ID FL3FFCGS0021 |
− | KNApSAcK_ID C00004521 | + | KNApSAcK_ID C00004521 |
− | NAME 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside) | + | NAME 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside) |
− | CAS_RN 108706-09-8 | + | CAS_RN 108706-09-8 |
− | FORMULA C32H36O19 | + | FORMULA C32H36O19 |
− | EXACTMASS 724.18507897 | + | EXACTMASS 724.18507897 |
− | AVERAGEMASS 724.61684 | + | AVERAGEMASS 724.61684 |
− | SMILES C(C2Oc(c5)c(c(c4c(O)5)OC(=CC(=O)4)c(c3)ccc(OC)c3O)O)(C(C(O)C(O2)COC(C)=O)O)OC(O1)C(O)C(O)C(O)C1COC(C)=O | + | SMILES C(C2Oc(c5)c(c(c4c(O)5)OC(=CC(=O)4)c(c3)ccc(OC)c3O)O)(C(C(O)C(O2)COC(C)=O)O)OC(O1)C(O)C(O)C(O)C1COC(C)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 51 55 0 0 0 0 0 0 0 0999 V2000 0.5069 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4091 0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 0.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 -0.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 0.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -0.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6815 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6815 1.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 1.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 0.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7476 0.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 0.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 0.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9432 0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 0.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1389 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -0.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9593 1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9593 2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5357 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0676 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8095 -1.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 -1.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2632 -1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 -1.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 -1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 -0.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2793 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2793 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8557 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 1.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1412 1.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 0.8808 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 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 19 1 0 0 0 0 25 29 1 0 0 0 0 16 30 1 0 0 0 0 29 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 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 35 41 1 0 0 0 0 37 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 38 28 1 0 0 0 0 6 48 1 0 0 0 0 36 49 1 0 0 0 0 15 50 1 0 0 0 0 50 51 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 54 M SMT 1 OCH3 M SBV 1 54 -8.9727 5.2148 S SKP 8 ID FL3FFCGS0021 KNApSAcK_ID C00004521 NAME 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside) CAS_RN 108706-09-8 FORMULA C32H36O19 EXACTMASS 724.18507897 AVERAGEMASS 724.61684 SMILES C(C2Oc(c5)c(c(c4c(O)5)OC(=CC(=O)4)c(c3)ccc(OC)c3O)O)(C(C(O)C(O2)COC(C)=O)O)OC(O1)C(O)C(O)C(O)C1COC(C)=O M END