Mol:FL5FECGS0063
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.4034 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4034 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4034 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4034 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
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| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
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| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 28 27 1 1 0 0 0 | + | 28 27 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
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| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 38 1 1 0 0 0 | + | 37 38 1 1 0 0 0 |
| − | 39 38 1 1 0 0 0 | + | 39 38 1 1 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 37 45 1 0 0 0 0 | + | 37 45 1 0 0 0 0 |
| − | 38 46 1 0 0 0 0 | + | 38 46 1 0 0 0 0 |
| − | 39 33 1 0 0 0 0 | + | 39 33 1 0 0 0 0 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0063 | + | ID FL5FECGS0063 |
| − | KNApSAcK_ID C00013952 | + | KNApSAcK_ID C00013952 |
| − | NAME Quercetagetin 7-methyl ether 3-cellobioside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one | + | NAME Quercetagetin 7-methyl ether 3-cellobioside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 235741-64-7 | + | CAS_RN 235741-64-7 |
| − | FORMULA C28H32O18 | + | FORMULA C28H32O18 |
| − | EXACTMASS 656.1588642199999 | + | EXACTMASS 656.1588642199999 |
| − | AVERAGEMASS 656.54288 | + | AVERAGEMASS 656.54288 |
| − | SMILES C(c(c5)cc(c(O)c5)O)(=C(OC(O3)C(C(O)C(OC(O4)C(O)C(C(O)C4CO)O)C3CO)O)2)Oc(c1C2=O)cc(c(c(O)1)O)OC | + | SMILES C(c(c5)cc(c(O)c5)O)(=C(OC(O3)C(C(O)C(OC(O4)C(O)C(C(O)C4CO)O)C3CO)O)2)Oc(c1C2=O)cc(c(c(O)1)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
2.1179 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1179 3.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8323 2.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8323 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7400 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6889 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 2.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1690 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8834 2.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4034 0.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4545 -0.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5468 3.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1179 4.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8300 0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5468 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1492 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6330 -1.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8385 -0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5958 -1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1228 -0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 -0.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1883 -2.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2762 -1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 -1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2593 -3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3414 -3.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
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6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
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10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 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
16 20 1 0 0 0 0
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25 26 1 1 0 0 0
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28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
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25 33 1 0 0 0 0
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27 35 1 0 0 0 0
36 37 1 1 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
36 44 1 0 0 0 0
37 45 1 0 0 0 0
38 46 1 0 0 0 0
39 33 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 8
ID FL5FECGS0063
KNApSAcK_ID C00013952
NAME Quercetagetin 7-methyl ether 3-cellobioside;2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 235741-64-7
FORMULA C28H32O18
EXACTMASS 656.1588642199999
AVERAGEMASS 656.54288
SMILES C(c(c5)cc(c(O)c5)O)(=C(OC(O3)C(C(O)C(OC(O4)C(O)C(C(O)C4CO)O)C3CO)O)2)Oc(c1C2=O)cc(c(c(O)1)O)OC
M END
