Mol:FL5FAAGS0136
From Metabolomics.JP
(Difference between revisions)
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| − | 57 62 0 0 0 0 0 0 0 0999 V2000 | + | 57 62 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 47 48 1 1 0 0 0 | + | 47 48 1 1 0 0 0 |
| − | 48 49 1 1 0 0 0 | + | 48 49 1 1 0 0 0 |
| − | 50 49 1 1 0 0 0 | + | 50 49 1 1 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 47 55 1 0 0 0 0 | + | 47 55 1 0 0 0 0 |
| − | 48 56 1 0 0 0 0 | + | 48 56 1 0 0 0 0 |
| − | 49 57 1 0 0 0 0 | + | 49 57 1 0 0 0 0 |
| − | 50 43 1 0 0 0 0 | + | 50 43 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0136 | + | ID FL5FAAGS0136 |
| − | KNApSAcK_ID C00013803 | + | KNApSAcK_ID C00013803 |
| − | NAME Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 382141-37-9 | + | CAS_RN 382141-37-9 |
| − | FORMULA C35H42O22 | + | FORMULA C35H42O22 |
| − | EXACTMASS 814.216773028 | + | EXACTMASS 814.216773028 |
| − | AVERAGEMASS 814.69478 | + | AVERAGEMASS 814.69478 |
| − | SMILES C(OC(C(O)2)C(OC(C(=O)6)=C(Oc(c64)cc(OC(C(O)5)OC(CO)C(C5O)O)cc(O)4)c(c3)ccc(c3)O)OC(COC(C)=O)C(O)2)(C(O)1)OC(C(O)C(O)1)CO | + | SMILES C(OC(C(O)2)C(OC(C(=O)6)=C(Oc(c64)cc(OC(C(O)5)OC(CO)C(C5O)O)cc(O)4)c(c3)ccc(c3)O)OC(COC(C)=O)C(O)2)(C(O)1)OC(C(O)C(O)1)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
2.6872 3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4017 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1162 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1162 3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4017 3.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9727 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9727 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1707 2.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8851 1.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8851 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1707 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2583 -0.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5996 2.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6504 0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7169 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1707 -0.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2337 2.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8210 1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0227 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2292 1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6418 2.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1942 1.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0716 -1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8791 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2570 -0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 -0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1487 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7706 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1908 -0.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5807 -1.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.8416 -0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0732 -0.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7855 -3.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1972 -2.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9158 -1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7055 -2.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1782 -2.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6440 -2.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.5324 -2.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 19 1 0 0 0 0
40 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
47 48 1 1 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
47 55 1 0 0 0 0
48 56 1 0 0 0 0
49 57 1 0 0 0 0
50 43 1 0 0 0 0
S SKP 8
ID FL5FAAGS0136
KNApSAcK_ID C00013803
NAME Kaempferol 3-glucosyl-(1->2)-(6''-acetylgalactoside)-7-glucoside;3-[(6-O-Acetyl-2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 382141-37-9
FORMULA C35H42O22
EXACTMASS 814.216773028
AVERAGEMASS 814.69478
SMILES C(OC(C(O)2)C(OC(C(=O)6)=C(Oc(c64)cc(OC(C(O)5)OC(CO)C(C5O)O)cc(O)4)c(c3)ccc(c3)O)OC(COC(C)=O)C(O)2)(C(O)1)OC(C(O)C(O)1)CO
M END
