Mol:FL1C3CGS0021
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 40 0 0 0 0 0 0 0 0999 V2000 | + | 38 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6767 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6767 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6767 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6767 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0378 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0378 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7523 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7523 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7523 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7523 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0378 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0378 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4667 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4667 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1812 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1812 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1812 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1812 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8957 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8957 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6102 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6102 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3246 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3246 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3246 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3246 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6102 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6102 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8957 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8957 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4667 -2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4667 -2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0491 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0491 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5710 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5710 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7959 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7959 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9846 -0.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9846 -0.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4626 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4626 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2378 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2378 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4492 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4492 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4846 -0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4846 -0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0421 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0421 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9064 -0.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9064 -0.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0378 -2.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0378 -2.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3447 0.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3447 0.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0325 1.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0325 1.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0059 1.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0059 1.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4142 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4142 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6102 2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6102 2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4846 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4846 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0059 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0059 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0209 -1.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0209 -1.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0325 1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0325 1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4991 1.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4991 1.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5833 1.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5833 1.9853 0.0000 C 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 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 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 29 23 1 0 0 0 0 | + | 29 23 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 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 |
| − | 29 36 1 0 0 0 0 | + | 29 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0021 | + | ID FL1C3CGS0021 |
| − | KNApSAcK_ID C00014509 | + | KNApSAcK_ID C00014509 |
| − | NAME Okanin 4'-O-(4'',6''-di-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(4'',6''-di-O-acetylglucoside) | + | NAME Okanin 4'-O-(4'',6''-di-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(4'',6''-di-O-acetylglucoside) |
| − | CAS_RN 194600-20-9 | + | CAS_RN 194600-20-9 |
| − | FORMULA C25H26O13 | + | FORMULA C25H26O13 |
| − | EXACTMASS 534.137340918 | + | EXACTMASS 534.137340918 |
| − | AVERAGEMASS 534.46614 | + | AVERAGEMASS 534.46614 |
| − | SMILES CC(=O)OC(C1O)C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(=O)C=Cc(c3)cc(O)c(c3)O)c2)C1O | + | SMILES CC(=O)OC(C1O)C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(=O)C=Cc(c3)cc(O)c(c3)O)c2)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 40 0 0 0 0 0 0 0 0999 V2000
-0.6767 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6767 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0378 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0378 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4667 -1.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1812 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1812 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8957 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6102 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3246 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3246 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6102 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8957 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4667 -2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0491 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5710 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7959 0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -0.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4626 0.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2378 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4492 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4846 -0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0421 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9064 -0.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0378 -2.1055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3447 0.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0325 1.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0059 1.4740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4142 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6102 2.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4846 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0059 -1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0209 -1.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0325 1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4991 1.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5833 1.9853 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 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
4 7 1 0 0 0 0
7 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 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
29 23 1 0 0 0 0
13 30 1 0 0 0 0
2 31 1 0 0 0 0
14 32 1 0 0 0 0
20 28 1 0 0 0 0
24 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
29 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL1C3CGS0021
KNApSAcK_ID C00014509
NAME Okanin 4'-O-(4'',6''-di-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(4'',6''-di-O-acetylglucoside)
CAS_RN 194600-20-9
FORMULA C25H26O13
EXACTMASS 534.137340918
AVERAGEMASS 534.46614
SMILES CC(=O)OC(C1O)C(COC(C)=O)OC(Oc(c2)c(O)c(O)c(C(=O)C=Cc(c3)cc(O)c(c3)O)c2)C1O
M END
