Mol:FL5FABGI0029
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 43 0 0 0 0 0 0 0 0999 V2000 | + | 40 43 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.3699 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3699 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0843 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0843 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7988 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7988 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7988 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7988 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.2277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.9422 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9422 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.9587 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9587 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9904 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9904 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0591 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0591 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7736 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7736 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3446 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3446 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2 3 1 0 0 0 0 | + | 2 3 1 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 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 2 1 0 0 0 0 | + | 11 2 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
| − | 9 32 1 0 0 0 0 | + | 9 32 1 0 0 0 0 |
| − | 4 27 1 0 0 0 0 | + | 4 27 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 19 33 1 0 0 0 0 | + | 19 33 1 0 0 0 0 |
| − | 8 34 1 0 0 0 0 | + | 8 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 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 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FABGI0029 | + | ID FL5FABGI0029 |
| − | KNApSAcK_ID C00014007 | + | KNApSAcK_ID C00014007 |
| − | NAME Caohuoside D;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Caohuoside D;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 161504-79-6 | + | CAS_RN 161504-79-6 |
| − | FORMULA C28H34O12 | + | FORMULA C28H34O12 |
| − | EXACTMASS 562.2050265519999 | + | EXACTMASS 562.2050265519999 |
| − | AVERAGEMASS 562.56236 | + | AVERAGEMASS 562.56236 |
| − | SMILES O=C(c13)C(O)=C(c(c4)ccc(c4)OC)Oc1c(CCC(C)(C)OC)c(cc3O)OC(C2O)OC(CO)C(C2O)O | + | SMILES O=C(c13)C(O)=C(c(c4)ccc(c4)OC)Oc1c(CCC(C)(C)OC)c(cc3O)OC(C2O)OC(CO)C(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/
40 43 0 0 0 0 0 0 0 0999 V2000
0.3699 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3699 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7988 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7988 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0591 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0591 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9422 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9422 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0843 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6567 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5743 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1618 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3637 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5704 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9829 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7810 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1935 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3712 -0.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9587 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9904 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9512 -1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3712 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0591 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0591 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0591 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3446 2.8875 0.0000 C 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 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
5 7 1 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 2 1 0 0 0 0
7 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 7 1 0 0 0 0
3 17 2 0 0 0 0
14 19 1 0 0 0 0
11 18 1 0 0 0 0
9 32 1 0 0 0 0
4 27 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
25 26 1 0 0 0 0
22 31 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
26 30 1 0 0 0 0
23 32 1 0 0 0 0
19 33 1 0 0 0 0
8 34 1 0 0 0 0
34 35 1 0 0 0 0
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
S SKP 8
ID FL5FABGI0029
KNApSAcK_ID C00014007
NAME Caohuoside D;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 161504-79-6
FORMULA C28H34O12
EXACTMASS 562.2050265519999
AVERAGEMASS 562.56236
SMILES O=C(c13)C(O)=C(c(c4)ccc(c4)OC)Oc1c(CCC(C)(C)OC)c(cc3O)OC(C2O)OC(CO)C(C2O)O
M END
