Mol:FL5FAAGL0063
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 45 0 0 0 0 0 0 0 0999 V2000 | + | 42 45 0 0 0 0 0 0 0 0999 V2000 |
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| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
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| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
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| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 40 42 2 0 0 0 0 | + | 40 42 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGL0063 | + | ID FL5FAAGL0063 |
| − | KNApSAcK_ID C00005845 | + | KNApSAcK_ID C00005845 |
| − | NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 157407-84-6 | + | CAS_RN 157407-84-6 |
| − | FORMULA C27H28O15 | + | FORMULA C27H28O15 |
| − | EXACTMASS 592.1428202259999 | + | EXACTMASS 592.1428202259999 |
| − | AVERAGEMASS 592.5022200000001 | + | AVERAGEMASS 592.5022200000001 |
| − | SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O | + | SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
-4.3874 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3874 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8311 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 0.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1622 1.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 1.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7185 -0.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6061 1.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0268 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2681 -0.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6136 -0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6136 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1133 -1.9698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 -2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 -1.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 -1.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0492 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5849 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2922 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9983 -2.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
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23 27 1 0 0 0 0
20 18 1 0 0 0 0
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22 21 1 1 0 0 0
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22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
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35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
S SKP 8
ID FL5FAAGL0063
KNApSAcK_ID C00005845
NAME Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 157407-84-6
FORMULA C27H28O15
EXACTMASS 592.1428202259999
AVERAGEMASS 592.5022200000001
SMILES OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O
M END
