Mol:FL5FABNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.4175 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4175 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0186 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0186 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0129 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0129 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7079 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7079 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4438 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4438 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7274 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7274 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1292 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1292 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8440 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8440 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8369 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8369 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1244 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1244 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1498 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1498 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1307 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1307 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4128 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4128 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7112 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7112 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1244 -2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1244 -2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6960 -2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6960 -2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7330 -2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7330 -2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5584 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5584 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.8450 0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8450 0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.4702 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4702 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1059 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1059 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5584 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5584 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8450 2.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8450 2.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1305 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1305 2.8813 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 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 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FABNI0003 | + | ID FL5FABNI0003 |
| − | KNApSAcK_ID C00013519 | + | KNApSAcK_ID C00013519 |
| − | NAME Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 173792-49-9 | + | CAS_RN 173792-49-9 |
| − | FORMULA C22H24O7 | + | FORMULA C22H24O7 |
| − | EXACTMASS 400.152203122 | + | EXACTMASS 400.152203122 |
| − | AVERAGEMASS 400.42176000000006 | + | AVERAGEMASS 400.42176000000006 |
| − | SMILES O(C)c(c3)ccc(c3)C(=C(O)1)Oc(c2CCC(OC)(C)C)c(c(O)cc2O)C1=O | + | SMILES O(C)c(c3)ccc(c3)C(=C(O)1)Oc(c2CCC(OC)(C)C)c(c(O)cc2O)C1=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4078 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4175 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0186 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0129 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7079 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4438 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7274 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1292 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8440 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8369 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1498 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1307 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4128 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7112 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 -2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7330 -2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5584 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1292 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8452 0.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1059 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5584 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8450 2.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1305 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 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 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
9 21 1 0 0 0 0
21 22 1 0 0 0 0
23 14 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL5FABNI0003
KNApSAcK_ID C00013519
NAME Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 173792-49-9
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES O(C)c(c3)ccc(c3)C(=C(O)1)Oc(c2CCC(OC)(C)C)c(c(O)cc2O)C1=O
M END
