Mol:FL3FFAGS0018
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
− | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
− | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
− | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FFAGS0018 | + | ID FL3FFAGS0018 |
− | KNApSAcK_ID C00013647 | + | KNApSAcK_ID C00013647 |
− | NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 113791-55-2 | + | CAS_RN 113791-55-2 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)1 | + | SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)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/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.4283 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4296 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4296 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 0.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 1.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 -1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 -1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3193 1.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 0.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 1.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8667 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8622 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 0.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3499 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 -0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5411 -0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1285 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5367 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9492 -0.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 -0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9336 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4766 0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9589 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3897 -1.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1768 -1.8034 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 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 6 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 20 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 33 1 0 0 0 0 S SKP 8 ID FL3FFAGS0018 KNApSAcK_ID C00013647 NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 113791-55-2 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)1 M END