Mol:FL1AA9NF0001
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9827 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9827 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9827 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9827 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5019 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0211 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0211 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0211 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0211 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5019 -0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 -0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4125 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4125 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0601 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0601 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4125 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4125 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3817 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3817 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2655 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2655 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5658 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5658 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1664 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1664 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4667 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4667 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1664 0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1664 0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5658 0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5658 0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2682 -1.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2682 -1.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6266 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6266 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2228 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2228 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4667 0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4667 0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5019 -1.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 -1.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 4 1 0 0 0 0 | + | 20 4 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AA9NF0001 | + | ID FL1AA9NF0001 |
| − | KNApSAcK_ID C00008036 | + | KNApSAcK_ID C00008036 |
| − | NAME 4-Hydroxyfurano[2'',3'':6,7]aurone | + | NAME 4-Hydroxyfurano[2'',3'':6,7]aurone |
| − | CAS_RN 61755-72-4 | + | CAS_RN 61755-72-4 |
| − | FORMULA C17H10O4 | + | FORMULA C17H10O4 |
| − | EXACTMASS 278.057908808 | + | EXACTMASS 278.057908808 |
| − | AVERAGEMASS 278.2589 | + | AVERAGEMASS 278.2589 |
| − | SMILES c(c4)ccc(c4)C=c(o1)c(=O)c(c(O)2)c1c(c3)c(oc3)c2 | + | SMILES c(c4)ccc(c4)C=c(o1)c(=O)c(c(O)2)c1c(c3)c(oc3)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-0.9827 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9827 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 -0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0601 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3817 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2655 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5658 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1664 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4667 -0.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1664 0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5658 0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2682 -1.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6266 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2228 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4667 0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 -1.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 4 1 0 0 0 0
6 21 1 0 0 0 0
S SKP 8
ID FL1AA9NF0001
KNApSAcK_ID C00008036
NAME 4-Hydroxyfurano[2'',3'':6,7]aurone
CAS_RN 61755-72-4
FORMULA C17H10O4
EXACTMASS 278.057908808
AVERAGEMASS 278.2589
SMILES c(c4)ccc(c4)C=c(o1)c(=O)c(c(O)2)c1c(c3)c(oc3)c2
M END
