Mol:FL5FADGL0041
From Metabolomics.JP
(Difference between revisions)
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− | 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 |
− | -2.5619 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5619 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8953 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8953 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8953 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8953 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5619 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5619 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.5622 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5622 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5622 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5622 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2287 0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2287 0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0685 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7159 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7159 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3633 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3633 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3633 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3633 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7159 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7159 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0685 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9257 2.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9257 2.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7159 2.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7159 2.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1384 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1384 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8070 0.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8070 0.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5619 -1.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5619 -1.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 0.2043 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2043 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2782 -0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2782 -0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4980 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4980 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2452 -1.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2452 -1.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7097 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7097 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4901 -1.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4901 -1.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7429 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7429 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3432 -2.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3432 -2.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4614 -2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4614 -2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7905 -2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7905 -2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3650 -2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3650 -2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8070 -2.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8070 -2.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4946 -3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4946 -3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1618 -1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 -1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5785 -1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5785 -1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7917 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7917 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0118 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0118 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9057 -0.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9057 -0.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9057 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9057 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4917 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4917 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 2 7 1 0 0 0 0 | + | 2 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 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 7 22 2 0 0 0 0 | + | 7 22 2 0 0 0 0 |
− | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 28 32 1 0 0 0 0 | + | 28 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 |
− | 29 36 1 0 0 0 0 | + | 29 36 1 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 |
− | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
− | 24 40 1 0 0 0 0 | + | 24 40 1 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 |
− | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FADGL0041 | + | ID FL5FADGL0041 |
− | KNApSAcK_ID C00011133 | + | KNApSAcK_ID C00011133 |
− | NAME Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one | + | NAME Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one |
− | CAS_RN 600736-88-7 | + | CAS_RN 600736-88-7 |
− | FORMULA C28H28O15 | + | FORMULA C28H28O15 |
− | EXACTMASS 604.1428202259999 | + | EXACTMASS 604.1428202259999 |
− | AVERAGEMASS 604.51292 | + | AVERAGEMASS 604.51292 |
− | SMILES c(c1C(O3)=C(C(=O)c(c4O)c(cc(O)c4)3)OC(O2)C(OC(C)=O)C(C(OC(C)=O)C2CO)OC(C)=O)c(OC)c(O)cc1 | + | SMILES c(c1C(O3)=C(C(=O)c(c4O)c(cc(O)c4)3)OC(O2)C(OC(C)=O)C(C(OC(C)=O)C2CO)OC(C)=O)c(OC)c(O)cc1 |
M END | M END | ||
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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 -2.5619 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8953 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8953 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2284 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2284 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 -0.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5622 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5622 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3633 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9257 2.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 2.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1384 3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 0.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 -1.1065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2287 -1.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 -0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 -1.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 -2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 -1.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 -1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 -2.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -2.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 -2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -2.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 -3.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5785 -1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -0.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 0.1881 0.0000 C 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 2 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 0 0 0 0 1 21 1 0 0 0 0 7 22 2 0 0 0 0 8 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 23 25 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 28 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 29 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 24 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 S SKP 8 ID FL5FADGL0041 KNApSAcK_ID C00011133 NAME Isorhamnetin 3-O-beta-D-2'',3'',4''-triacetylglucopyranoside;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2,3,4-tri-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one CAS_RN 600736-88-7 FORMULA C28H28O15 EXACTMASS 604.1428202259999 AVERAGEMASS 604.51292 SMILES c(c1C(O3)=C(C(=O)c(c4O)c(cc(O)c4)3)OC(O2)C(OC(C)=O)C(C(OC(C)=O)C2CO)OC(C)=O)c(OC)c(O)cc1 M END