Mol:FL1C1ANI0019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3198 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3198 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9030 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9030 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9030 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9030 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3198 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3198 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7365 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7365 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7365 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7365 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3689 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3689 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2181 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2181 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6417 -0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6417 -0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0955 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0955 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5637 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0955 -0.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0955 -0.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5637 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0376 0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0376 0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6388 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6388 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6388 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6388 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0376 -0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0376 -0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0882 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0882 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0376 -0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0376 -0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1348 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1348 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6364 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6364 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1884 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1884 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1884 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1884 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7222 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7222 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1918 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1918 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7718 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7718 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7718 0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7718 0.5050 0.0000 O 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0019 | + | ID FL1C1ANI0019 |
| − | KNApSAcK_ID C00007159 | + | KNApSAcK_ID C00007159 |
| − | NAME Xanthoangelol C | + | NAME Xanthoangelol C |
| − | CAS_RN 132998-82-4 | + | CAS_RN 132998-82-4 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c1O)ccc(O)c(CC=C(C)CCC=O)1 | + | SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c1O)ccc(O)c(CC=C(C)CCC=O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000
3.3198 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3198 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7365 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7365 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3689 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2181 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6417 -0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0955 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0955 -0.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0376 0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6388 0.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6388 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0376 -0.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0882 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0376 -0.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 -0.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6364 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 -0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7222 -0.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1918 -0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7718 -0.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7718 0.5050 0.0000 O 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
3 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
11 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 11 1 0 0 0 0
15 18 1 0 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
S SKP 8
ID FL1C1ANI0019
KNApSAcK_ID C00007159
NAME Xanthoangelol C
CAS_RN 132998-82-4
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c1O)ccc(O)c(CC=C(C)CCC=O)1
M END
