Mol:FL1DAACS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.9830 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9830 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 7 30 1 0 0 0 0 | + | 7 30 1 0 0 0 0 |
| − | 4 31 2 0 0 0 0 | + | 4 31 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DAACS0001 | + | ID FL1DAACS0001 |
| − | KNApSAcK_ID C00014024 | + | KNApSAcK_ID C00014024 |
| − | NAME Nothofagin;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone | + | NAME Nothofagin;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone |
| − | CAS_RN 11023-94-2 | + | CAS_RN 11023-94-2 |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES Oc(c3)ccc(c3)CCC(=O)c(c1O)c(O)cc(c1C(C(O)2)OC(CO)C(O)C2O)O | + | SMILES Oc(c3)ccc(c3)CCC(=O)c(c1O)c(O)cc(c1C(C(O)2)OC(CO)C(O)C2O)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/
31 33 0 0 0 0 0 0 0 0999 V2000
1.2685 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9830 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5148 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1997 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9141 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9141 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3431 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3431 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3479 1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7628 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1843 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9865 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5715 0.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1500 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7198 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7181 1.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0074 1.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8984 1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8247 0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9830 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6974 -1.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4119 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4119 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6974 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0074 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0225 -1.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1997 0.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 6 1 0 0 0 0
11 12 1 1 0 0 0
12 13 1 1 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 11 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
11 19 1 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
2 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 2 1 0 0 0 0
24 27 1 0 0 0 0
6 28 1 0 0 0 0
9 29 1 0 0 0 0
14 8 1 0 0 0 0
7 30 1 0 0 0 0
4 31 2 0 0 0 0
S SKP 8
ID FL1DAACS0001
KNApSAcK_ID C00014024
NAME Nothofagin;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
CAS_RN 11023-94-2
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES Oc(c3)ccc(c3)CCC(=O)c(c1O)c(O)cc(c1C(C(O)2)OC(CO)C(O)C2O)O
M END
