Mol:FL5FAANI0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0138 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0138 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0040 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0040 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7255 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7255 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4401 -1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4401 -1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4344 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4344 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7136 0.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7136 0.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8654 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8654 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1489 0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1489 0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7077 0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7077 0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4224 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4224 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4153 -1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4153 -1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7028 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7028 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5713 0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5713 0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5522 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5522 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8343 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8343 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1327 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1327 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7028 -2.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7028 -2.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7255 -2.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7255 -2.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1546 -1.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1546 -1.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1369 0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1369 0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7077 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7077 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4234 1.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4234 1.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2667 1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2667 1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.1546 2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1546 2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7252 2.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7252 2.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1298 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1298 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8426 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8426 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5688 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5688 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5688 -2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5688 -2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2667 -1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2667 -1.2440 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 2 0 0 0 0 | + | 22 24 2 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 |
| − | 11 27 1 0 0 0 0 | + | 11 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANI0011 | + | ID FL5FAANI0011 |
| − | KNApSAcK_ID C00013517 | + | KNApSAcK_ID C00013517 |
| − | NAME 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 54013-24-0 | + | CAS_RN 54013-24-0 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES Oc(c(CC=C(C)C)3)c(c(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(c1)O)CC=C(C)C | + | SMILES Oc(c(CC=C(C)C)3)c(c(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(c1)O)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
0.0138 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0040 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 -1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4401 -1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4344 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7136 0.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8654 -0.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1489 0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4224 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4153 -1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7028 -1.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5713 0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1327 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7028 -2.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 -2.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1546 -1.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1369 0.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 0.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 1.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2667 1.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1546 2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7252 2.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 -1.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8426 -1.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5688 -1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5688 -2.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2667 -1.2440 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 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
11 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL5FAANI0011
KNApSAcK_ID C00013517
NAME 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 54013-24-0
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES Oc(c(CC=C(C)C)3)c(c(c2c3O)OC(=C(C(=O)2)O)c(c1)ccc(c1)O)CC=C(C)C
M END
