Mol:FL3FAACC0002
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 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
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| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
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| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
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| − | 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
| − | 23 13 1 0 0 0 0 | + | 23 13 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACC0002 | + | ID FL3FAACC0002 |
| − | KNApSAcK_ID C00014015 | + | KNApSAcK_ID C00014015 |
| − | NAME Cucumerin A;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one | + | NAME Cucumerin A;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 613253-63-7 | + | CAS_RN 613253-63-7 |
| − | FORMULA C29H28O11 | + | FORMULA C29H28O11 |
| − | EXACTMASS 552.163161738 | + | EXACTMASS 552.163161738 |
| − | AVERAGEMASS 552.52602 | + | AVERAGEMASS 552.52602 |
| − | SMILES c(c4C(C)c(c5)ccc(O)c5)(O)c(c(O2)c(c4O)C(C=C(c(c3)ccc(c3)O)2)=O)C(C(O)1)OC(CO)C(O)C1O | + | SMILES c(c4C(C)c(c5)ccc(O)c5)(O)c(c(O2)c(c4O)C(C=C(c(c3)ccc(c3)O)2)=O)C(C(O)1)OC(CO)C(O)C1O |
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 44 0 0 0 0 0 0 0 0999 V2000
2.5044 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5044 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2189 -0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9334 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9334 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2189 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 -0.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3218 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3218 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3927 -0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3927 -2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7782 -0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3927 -2.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0363 -2.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6389 2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 1.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2431 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1270 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0161 2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2309 2.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 2.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 1.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5448 0.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7227 -2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7227 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4194 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4194 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8484 -0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8484 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1339 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5448 -0.4423 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 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 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
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
5 31 1 0 0 0 0
23 13 1 0 0 0 0
15 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
S SKP 8
ID FL3FAACC0002
KNApSAcK_ID C00014015
NAME Cucumerin A;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)ethyl]-4H-1-benzopyran-4-one
CAS_RN 613253-63-7
FORMULA C29H28O11
EXACTMASS 552.163161738
AVERAGEMASS 552.52602
SMILES c(c4C(C)c(c5)ccc(O)c5)(O)c(c(O2)c(c4O)C(C=C(c(c3)ccc(c3)O)2)=O)C(C(O)1)OC(CO)C(O)C1O
M END
