Mol:FL3FAADS0031
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 42 50 1 0 0 0 0 | + | 42 50 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FAADS0031 | + | ID FL3FAADS0031 |
− | KNApSAcK_ID C00011196 | + | KNApSAcK_ID C00011196 |
− | NAME Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside) | + | NAME Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside) |
− | CAS_RN 592522-41-3 | + | CAS_RN 592522-41-3 |
− | FORMULA C31H34O19 | + | FORMULA C31H34O19 |
− | EXACTMASS 710.1694289059999 | + | EXACTMASS 710.1694289059999 |
− | AVERAGEMASS 710.5902600000001 | + | AVERAGEMASS 710.5902600000001 |
− | SMILES c(c(C(C(O)5)OC(CO)C(C5O)O)3)(c(c(cc3OC(C(O)4)OC(COC(=O)CC(C(O)=O)O)C(O)C4O)1)C(C=C(c(c2)ccc(c2)O)O1)=O)O | + | SMILES c(c(C(C(O)5)OC(CO)C(C5O)O)3)(c(c(cc3OC(C(O)4)OC(COC(=O)CC(C(O)=O)O)C(O)C4O)1)C(C=C(c(c2)ccc(c2)O)O1)=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/ 50 54 0 0 0 0 0 0 0 0999 V2000 3.3083 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 1.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 1.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9426 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 0.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6143 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6143 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9426 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 0.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 -0.9715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -1.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -1.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 0.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6429 -0.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 -0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 0.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5434 0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 -0.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -0.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5748 0.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 1.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 2.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9751 1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 1.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4261 2.4267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 0.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 1.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3901 -2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6848 -2.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 -1.8733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -1.6905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 -1.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -1.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8198 -2.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 -2.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 -2.2837 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 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 10 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 11 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 12 20 2 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 18 24 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 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 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 16 43 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 40 48 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 S SKP 8 ID FL3FAADS0031 KNApSAcK_ID C00011196 NAME Apigenin 6-C-glucosyl-7-O-(6-malyl-glucoside) CAS_RN 592522-41-3 FORMULA C31H34O19 EXACTMASS 710.1694289059999 AVERAGEMASS 710.5902600000001 SMILES c(c(C(C(O)5)OC(CO)C(C5O)O)3)(c(c(cc3OC(C(O)4)OC(COC(=O)CC(C(O)=O)O)C(O)C4O)1)C(C=C(c(c2)ccc(c2)O)O1)=O)O M END