Mol:FL7DEANS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4439 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4439 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4439 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4439 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7294 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7294 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0150 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0150 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0150 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0150 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7294 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7294 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3005 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3005 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4140 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4140 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4140 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4140 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3005 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3005 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7294 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7294 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0628 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0628 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0800 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0800 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7944 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7944 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5089 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5089 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5089 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5089 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7944 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7944 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0800 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0800 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1430 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1430 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1430 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1430 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3210 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3210 -2.0130 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 11 21 1 0 0 0 0 | + | 11 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DEANS0002 | + | ID FL7DEANS0002 |
| − | KNApSAcK_ID C00014868 | + | KNApSAcK_ID C00014868 |
| − | NAME Carajuron;6,7,4'-Trihydroxy-5-methoxy-flavylium | + | NAME Carajuron;6,7,4'-Trihydroxy-5-methoxy-flavylium |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C16H15O5 | + | FORMULA C16H15O5 |
| − | EXACTMASS 287.09194859 | + | EXACTMASS 287.09194859 |
| − | AVERAGEMASS 287.2873 | + | AVERAGEMASS 287.2873 |
| − | SMILES COC(=C(O)3)C(C=2)C(=CC(O)3)[O+1]=C(C2)c(c1)ccc(O)c1 | + | SMILES COC(=C(O)3)C(C=2)C(=CC(O)3)[O+1]=C(C2)c(c1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.4439 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4439 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7294 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3005 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4140 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3005 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-1.7294 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0628 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0800 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7944 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5089 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5089 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7944 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0800 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1430 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3210 -2.0130 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 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
3 11 1 0 0 0 0
1 12 1 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
11 21 1 0 0 0 0
S SKP 8
ID FL7DEANS0002
KNApSAcK_ID C00014868
NAME Carajuron;6,7,4'-Trihydroxy-5-methoxy-flavylium
CAS_RN -
FORMULA C16H15O5
EXACTMASS 287.09194859
AVERAGEMASS 287.2873
SMILES COC(=C(O)3)C(C=2)C(=CC(O)3)[O+1]=C(C2)c(c1)ccc(O)c1
M END
