Mol:PR101007
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | C00005140.cdx | + | C00005140.cdx |
− | ChemDraw12290805552D | + | ChemDraw12290805552D |
− | + | ||
− | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9630 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9630 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 1.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 1.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 1.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 -0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5191 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5191 2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3214 -1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3214 -1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9496 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9496 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7502 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7502 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9496 -0.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9496 -0.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3214 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3214 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5206 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5206 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6942 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6942 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2122 -1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2122 -1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7945 -2.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7945 -2.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3214 -2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3214 -2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4955 -0.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4955 -0.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 | + | 1 2 1 0 |
− | 2 3 2 0 | + | 2 3 2 0 |
− | 3 4 1 0 | + | 3 4 1 0 |
− | 4 5 2 0 | + | 4 5 2 0 |
− | 5 6 1 0 | + | 5 6 1 0 |
− | 6 1 2 0 | + | 6 1 2 0 |
− | 4 7 1 0 | + | 4 7 1 0 |
− | 7 8 1 0 | + | 7 8 1 0 |
− | 8 9 2 0 | + | 8 9 2 0 |
− | 9 10 1 0 | + | 9 10 1 0 |
− | 10 5 1 0 | + | 10 5 1 0 |
− | 7 11 2 0 | + | 7 11 2 0 |
− | 9 12 1 0 | + | 9 12 1 0 |
− | 12 13 2 0 | + | 12 13 2 0 |
− | 13 14 1 0 | + | 13 14 1 0 |
− | 14 15 2 0 | + | 14 15 2 0 |
− | 15 16 1 0 | + | 15 16 1 0 |
− | 16 17 2 0 | + | 16 17 2 0 |
− | 17 12 1 0 | + | 17 12 1 0 |
− | 3 18 1 0 | + | 3 18 1 0 |
− | 1 19 1 0 | + | 1 19 1 0 |
− | 15 20 1 0 | + | 15 20 1 0 |
− | 22 21 1 1 | + | 22 21 1 1 |
− | 22 23 1 0 | + | 22 23 1 0 |
− | 23 24 1 0 | + | 23 24 1 0 |
− | 24 25 1 0 | + | 24 25 1 0 |
− | 25 26 1 1 | + | 25 26 1 1 |
− | 26 21 1 1 | + | 26 21 1 1 |
− | 25 27 1 0 | + | 25 27 1 0 |
− | 23 28 1 0 | + | 23 28 1 0 |
− | 22 29 1 0 | + | 22 29 1 0 |
− | 21 30 1 0 | + | 21 30 1 0 |
− | 8 27 1 0 | + | 8 27 1 0 |
− | 26 31 1 0 | + | 26 31 1 0 |
− | S SKP | + | S SKP 7 |
− | CAS_RN 482-39-3 | + | CAS_RN 482-39-3 |
− | NAME Kaempferol-3-O-alpha-L-rhamnoside | + | NAME Kaempferol-3-O-alpha-L-rhamnoside |
+ | ID PR101007 | ||
+ | FORMULA C21H20O10 | ||
+ | EXACTMASS 432.10564686 | ||
+ | AVERAGEMASS 432.37749999999994 | ||
+ | SMILES Oc(c4)ccc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C(C)3)C(=O)c(c(O)2)c(cc(O)c2)1 | ||
M END | M END |
Latest revision as of 10:35, 23 December 2009
C00005140.cdx ChemDraw12290805552D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.9630 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 1.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 2.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 2.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 -1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7502 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9496 -0.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 -0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6942 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -2.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 -2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4955 -0.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 5 1 0 7 11 2 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 3 18 1 0 1 19 1 0 15 20 1 0 22 21 1 1 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 26 21 1 1 25 27 1 0 23 28 1 0 22 29 1 0 21 30 1 0 8 27 1 0 26 31 1 0 S SKP 7 CAS_RN 482-39-3 NAME Kaempferol-3-O-alpha-L-rhamnoside ID PR101007 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES Oc(c4)ccc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C(C)3)C(=O)c(c(O)2)c(cc(O)c2)1 M END