Mol:FL5FAAGS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.7304 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7304 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7304 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7304 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1741 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1741 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6178 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6178 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6178 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6178 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1741 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1741 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5052 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5052 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5052 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5052 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9491 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9491 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3821 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3821 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1848 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1848 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1848 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1848 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3821 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3821 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9491 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9491 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1741 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1741 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2865 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2865 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7516 2.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7516 2.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9774 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9774 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2398 -1.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.2398 -1.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.3884 -1.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.3884 -1.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.1890 -0.9666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1890 -0.9666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3884 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3884 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2398 0.0979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.2398 0.0979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.0406 -0.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.0406 -0.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.7298 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7298 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0785 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0785 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8093 -1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8093 -1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6321 -0.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.6321 -0.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.1477 -0.7233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.1477 -0.7233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8902 -0.4345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8902 -0.4345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.6067 -0.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.6067 -0.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.0860 0.0939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.0860 0.0939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.4365 -0.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4365 -0.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3439 -0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3439 -0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3156 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3156 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5979 -0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5979 -0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8429 0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8429 0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6554 1.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6554 1.7297 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 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 41 42 | + | M SAL 1 2 41 42 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 45 3.3843 0.1339 | + | M SVB 1 45 3.3843 0.1339 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0021 | + | ID FL5FAAGS0021 |
| − | KNApSAcK_ID C00005171 | + | KNApSAcK_ID C00005171 |
| − | NAME Kaempferol 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 142451-65-8 | + | CAS_RN 142451-65-8 |
| − | FORMULA C27H30O15 | + | FORMULA C27H30O15 |
| − | EXACTMASS 594.15847029 | + | EXACTMASS 594.15847029 |
| − | AVERAGEMASS 594.5181 | + | AVERAGEMASS 594.5181 |
| − | SMILES c(O)(c1)cc(c(C3=O)c(OC(=C(O[C@H]([C@@H](O[C@@H](O5)[C@@H]([C@H](O)[C@@H](C5CO)O)O)4)OC(C)[C@@H](O)[C@H]4O)3)c(c2)ccc(c2)O)1)O | + | SMILES c(O)(c1)cc(c(C3=O)c(OC(=C(O[C@H]([C@@H](O[C@@H](O5)[C@@H]([C@H](O)[C@@H](C5CO)O)O)4)OC(C)[C@@H](O)[C@H]4O)3)c(c2)ccc(c2)O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.7304 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7304 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6178 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6178 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3821 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1848 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1848 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3821 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1741 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 2.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9774 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2398 -1.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3884 -1.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1890 -0.9666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3884 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2398 0.0979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0406 -0.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7298 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0785 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8093 -1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6321 -0.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1477 -0.7233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8902 -0.4345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6067 -0.4268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0860 0.0939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.4365 -0.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3439 -0.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3156 -1.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5979 -0.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8429 0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6554 1.7297 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
21 26 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
28 32 1 0 0 0 0
35 40 1 0 0 0 0
36 41 1 0 0 0 0
41 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 45
M SMT 1 CH2OH
M SVB 1 45 3.3843 0.1339
S SKP 8
ID FL5FAAGS0021
KNApSAcK_ID C00005171
NAME Kaempferol 3-glucosyl-(1->2)-rhamnoside;3-[(6-Deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 142451-65-8
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES c(O)(c1)cc(c(C3=O)c(OC(=C(O[C@H]([C@@H](O[C@@H](O5)[C@@H]([C@H](O)[C@@H](C5CO)O)O)4)OC(C)[C@@H](O)[C@H]4O)3)c(c2)ccc(c2)O)1)O
M END
