Mol:FL5FA8GS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1185 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1185 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4041 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4041 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4041 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4041 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1185 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1185 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8330 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8330 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8330 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8330 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6896 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6896 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0249 1.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0249 1.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7394 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7394 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7394 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7394 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0249 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0249 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6896 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6896 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4538 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4538 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1683 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1683 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1683 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1683 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4538 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4538 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0249 -1.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0249 -1.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8828 1.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8828 1.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4538 -1.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4538 -1.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3382 -0.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3382 -0.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7534 2.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7534 2.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1185 0.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1185 0.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9110 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9110 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6984 -2.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6984 -2.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1449 -1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1449 -1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8828 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8828 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0954 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0954 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6488 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6488 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1369 -1.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1369 -1.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5961 -1.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5961 -1.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8820 -2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8820 -2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1927 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1927 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4515 -1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4515 -1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA8GS0001 | + | ID FL5FA8GS0001 |
| − | KNApSAcK_ID C00013992 | + | KNApSAcK_ID C00013992 |
| − | NAME 3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one | + | NAME 3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 172428-47-6 | + | CAS_RN 172428-47-6 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES C(C1Oc(c4)c(c(O)cc4)C(O3)=C(C(=O)c(c32)c(cc(O)c2)O)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4)c(c(O)cc4)C(O3)=C(C(=O)c(c32)c(cc(O)c2)O)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
2.1185 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4041 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4041 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1185 2.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8330 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8330 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6896 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0249 1.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7394 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7394 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0249 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6896 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 1.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1683 0.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1683 0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0249 -1.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8828 1.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 -1.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3382 -0.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7534 2.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1185 0.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 -2.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1449 -1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8828 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0954 -0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6488 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1369 -1.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5961 -1.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8820 -2.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1927 -2.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4515 -1.9716 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
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
16 19 1 0 0 0 0
12 20 1 0 0 0 0
3 21 1 0 0 0 0
1 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 22 1 0 0 0 0
S SKP 8
ID FL5FA8GS0001
KNApSAcK_ID C00013992
NAME 3,5,7,2',6'-Pentahydroxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-6-hydroxyphenyl]-3,5,7-trihydroxy-4H-1-benzopyran-4-one
CAS_RN 172428-47-6
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C1Oc(c4)c(c(O)cc4)C(O3)=C(C(=O)c(c32)c(cc(O)c2)O)O)(O)C(O)C(O)C(O1)CO
M END
