Mol:FL5FBAGA0002
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 |
− | -3.4511 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4511 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4511 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4511 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8948 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8948 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3385 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3385 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3385 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3385 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8948 0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8948 0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7822 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7822 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2259 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2259 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2259 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2259 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7822 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7822 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7822 -1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7822 -1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6698 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1028 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1028 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4642 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4642 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4642 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4642 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1028 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1028 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6698 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6698 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0072 0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0072 0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7925 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7925 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0981 1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0981 1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0801 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0801 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7793 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7793 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3578 1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3578 1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9398 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9398 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2406 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2406 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6621 1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6621 1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6675 1.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6675 1.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9003 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9003 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6747 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6747 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5126 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5126 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2118 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2118 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7903 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7903 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3723 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3723 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6731 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6731 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0946 -1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0946 -1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0461 -1.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0461 -1.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3328 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8722 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8722 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3312 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3312 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6168 -1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6168 -1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2927 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2927 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0072 0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0072 0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7252 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7252 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4397 -1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4397 -1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 31 19 1 0 0 0 0 | + | 31 19 1 0 0 0 0 |
− | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | 3 39 1 0 0 0 0 | + | 3 39 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 33 43 1 0 0 0 0 | + | 33 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 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 39 40 | + | M SAL 1 2 39 40 |
− | M SBL 1 1 43 | + | M SBL 1 1 43 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 43 -5.9665 3.5319 | + | M SBV 1 43 -5.9665 3.5319 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 41 42 | + | M SAL 2 2 41 42 |
− | M SBL 2 1 45 | + | M SBL 2 1 45 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SBV 2 45 -5.1771 3.7192 | + | M SBV 2 45 -5.1771 3.7192 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 43 44 | + | M SAL 3 2 43 44 |
− | M SBL 3 1 47 | + | M SBL 3 1 47 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SBV 3 47 -5.1771 3.7192 | + | M SBV 3 47 -5.1771 3.7192 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FBAGA0002 | + | ID FL5FBAGA0002 |
− | KNApSAcK_ID C00005268 | + | KNApSAcK_ID C00005268 |
− | NAME Kaempferol 5-methyl ether 3-galactoside-4'-glucoside | + | NAME Kaempferol 5-methyl ether 3-galactoside-4'-glucoside |
− | CAS_RN 142741-21-7 | + | CAS_RN 142741-21-7 |
− | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
− | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
− | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
− | SMILES OC(C(CO)5)C(O)C(O)C(O5)OC(=C(c(c4)ccc(c4)OC(O3)C(O)C(O)C(O)C3CO)2)C(=O)c(c1O2)c(cc(O)c1)OC | + | SMILES OC(C(CO)5)C(O)C(O)C(O5)OC(=C(c(c4)ccc(c4)OC(O3)C(O)C(O)C(O)C3CO)2)C(=O)c(c1O2)c(cc(O)c1)OC |
M END | M END | ||
− |
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 -3.4511 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -0.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2259 -0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2259 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7822 -1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 1.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 0.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7925 -1.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0981 1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 1.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 1.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 1.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2118 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 -1.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3723 -1.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 -1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -1.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -0.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3312 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -1.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0072 0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 -1.8455 0.0000 O 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 20 15 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 35 37 1 0 0 0 0 31 19 1 0 0 0 0 22 20 1 0 0 0 0 34 38 1 0 0 0 0 3 39 1 0 0 0 0 39 40 1 0 0 0 0 24 41 1 0 0 0 0 41 42 1 0 0 0 0 33 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 43 M SMT 1 OCH3 M SBV 1 43 -5.9665 3.5319 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 45 M SMT 2 CH2OH M SBV 2 45 -5.1771 3.7192 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 47 M SMT 3 CH2OH M SBV 3 47 -5.1771 3.7192 S SKP 8 ID FL5FBAGA0002 KNApSAcK_ID C00005268 NAME Kaempferol 5-methyl ether 3-galactoside-4'-glucoside CAS_RN 142741-21-7 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES OC(C(CO)5)C(O)C(O)C(O5)OC(=C(c(c4)ccc(c4)OC(O3)C(O)C(O)C(O)C3CO)2)C(=O)c(c1O2)c(cc(O)c1)OC M END