Mol:FL3FECGS0048
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0000 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0000 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6058 2.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6058 2.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1933 2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1933 2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7735 1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7735 1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9890 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9890 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4015 1.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4015 1.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8214 2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8214 2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2339 2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2339 2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0204 3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0204 3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0225 3.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0225 3.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9798 2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9798 2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3610 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3610 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5724 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -2.3167 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 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 33 1 0 0 0 0 | + | 14 33 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 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 |
| − | 20 34 1 0 0 0 0 | + | 20 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECGS0048 | + | ID FL3FECGS0048 |
| − | KNApSAcK_ID C00013693 | + | KNApSAcK_ID C00013693 |
| − | NAME Nepetin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one | + | NAME Nepetin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 112208-83-0 | + | CAS_RN 112208-83-0 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)3)ccc(c3)C(O1)=CC(=O)c(c(O)2)c(cc(O)c2OC)1 | + | SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)3)ccc(c3)C(O1)=CC(=O)c(c(O)2)c(cc(O)c2OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6058 2.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7735 1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9890 0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 1.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8214 2.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2339 2.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0204 3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0225 3.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9798 2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3610 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -2.3167 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 33 1 0 0 0 0
13 18 1 0 0 0 0
11 19 1 0 0 0 0
10 20 1 0 0 0 0
9 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 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
20 34 1 0 0 0 0
S SKP 8
ID FL3FECGS0048
KNApSAcK_ID C00013693
NAME Nepetin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 112208-83-0
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C4O)C(OC(CO)C4O)Oc(c(O)3)ccc(c3)C(O1)=CC(=O)c(c(O)2)c(cc(O)c2OC)1
M END
