Mol:FL5FF9NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 -0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 -0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6527 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6527 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6527 1.5945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.6527 1.5945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1969 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1969 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1085 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1085 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1969 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1969 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5644 1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5644 1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4116 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4116 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2776 -1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2776 -1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 2 0 0 0 0 | + | 6 1 2 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 21 25 2 0 0 0 0 | + | 21 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 0.7445 -1.1516 | + | M SVB 1 29 0.7445 -1.1516 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF9NI0001 | + | ID FL5FF9NI0001 |
| − | KNApSAcK_ID C00004914 | + | KNApSAcK_ID C00004914 |
| − | NAME 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate | + | NAME 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate |
| − | CAS_RN 128508-14-5 | + | CAS_RN 128508-14-5 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES COC(C3=O)=C(Oc(c23)c(OC(=O)C(C)CC)c(O)cc2O)c(c1)cccc1 | + | SMILES COC(C3=O)=C(Oc(c23)c(OC(=O)C(C)CC)c(O)cc2O)c(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.6796 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6527 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6527 1.5945 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1969 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1085 1.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1969 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5644 1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4116 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 -1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 2 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
21 25 2 0 0 0 0
24 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 0.7445 -1.1516
S SKP 8
ID FL5FF9NI0001
KNApSAcK_ID C00004914
NAME 8-Hydroxygalangin 3-methyl ether 8-methylbutyrate
CAS_RN 128508-14-5
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES COC(C3=O)=C(Oc(c23)c(OC(=O)C(C)CC)c(O)cc2O)c(c1)cccc1
M END
