Mol:FL3FECNSS002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0888 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0888 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0888 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0888 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6377 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1866 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1866 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1866 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1866 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6377 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2644 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2644 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7155 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7155 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7155 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7155 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2644 0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2644 0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2644 -1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2644 -1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1664 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1664 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6261 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6261 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0858 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0858 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0858 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0858 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6261 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6261 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1664 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1664 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6261 1.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6261 1.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6760 0.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6760 0.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6377 -1.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 -1.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5389 0.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5389 0.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5389 -0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5389 -0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1604 -0.9455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1604 -0.9455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1604 -0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1604 -0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6760 -0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6760 -0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1604 -1.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1604 -1.4956 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 |
− | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 23 26 2 0 0 0 0 | + | 23 26 2 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FECNSS002 | + | ID FL3FECNSS002 |
− | KNApSAcK_ID C00004398 | + | KNApSAcK_ID C00004398 |
− | NAME 6-Hydroxyluteolin 6-sulfate | + | NAME 6-Hydroxyluteolin 6-sulfate |
− | CAS_RN 111509-44-5 | + | CAS_RN 111509-44-5 |
− | FORMULA C15H10O10S | + | FORMULA C15H10O10S |
− | EXACTMASS 381.99946723 | + | EXACTMASS 381.99946723 |
− | AVERAGEMASS 382.2999 | + | AVERAGEMASS 382.2999 |
− | SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(c(O)1)OS(O)(=O)=O | + | SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(c(O)1)OS(O)(=O)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.0888 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -0.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7155 -0.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7155 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 -1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 1.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 0.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -1.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 0.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 -0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -0.9455 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -1.4956 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 S SKP 8 ID FL3FECNSS002 KNApSAcK_ID C00004398 NAME 6-Hydroxyluteolin 6-sulfate CAS_RN 111509-44-5 FORMULA C15H10O10S EXACTMASS 381.99946723 AVERAGEMASS 382.2999 SMILES Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(c(O)1)OS(O)(=O)=O M END