Mol:FL3FAANP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1034 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1034 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1034 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1034 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0092 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0092 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0092 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0092 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5655 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5655 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1218 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1218 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1218 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1218 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5655 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5655 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5655 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5655 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6779 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6779 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2449 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2449 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8119 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8119 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8119 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8119 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2449 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2449 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6779 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6779 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 -1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 -1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6595 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6595 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2156 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2156 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7705 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7705 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3254 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3254 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7705 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7705 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3254 1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3254 1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5471 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5471 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1034 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1034 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0515 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0515 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2837 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2837 0.9453 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 24 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 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 1 1 0 0 0 0 | + | 28 1 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANP0004 | + | ID FL3FAANP0004 |
| − | KNApSAcK_ID C00004093 | + | KNApSAcK_ID C00004093 |
| − | NAME Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 144049-81-0 | + | CAS_RN 144049-81-0 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(c13)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O | + | SMILES c(c13)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.1034 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0092 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -1.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2449 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 0.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8119 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2449 1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 -1.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6595 -0.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -0.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3254 -0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -1.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3254 1.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5471 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0515 1.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2837 0.9453 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
24 15 1 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 1 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL3FAANP0004
KNApSAcK_ID C00004093
NAME Laxifolin;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 144049-81-0
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(c13)(C(=O)C=C(c(c4)ccc(c4)O)O3)c(c(CC=C(C)C)c(O2)c(C=CC2(C)C)1)O
M END
