Mol:FL3FAANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6384 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6384 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6384 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6384 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5258 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5258 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5258 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5258 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0305 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0305 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5868 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5868 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5868 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5868 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0305 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0305 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0305 -1.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0305 -1.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1429 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1429 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7099 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7099 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2769 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2769 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2769 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2769 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7099 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7099 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1429 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1429 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0821 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0821 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6384 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6384 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1947 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1947 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1947 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1947 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8176 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8176 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5900 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5900 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8176 1.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8176 1.1324 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANP0001 | + | ID FL3FAANP0001 |
| − | KNApSAcK_ID C00004052 | + | KNApSAcK_ID C00004052 |
| − | NAME Atalantoflavone | + | NAME Atalantoflavone |
| − | CAS_RN 119309-02-3 | + | CAS_RN 119309-02-3 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES C(=O)(C=1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2 | + | SMILES C(=O)(C=1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.6384 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6384 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0305 -1.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1429 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2769 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2769 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1429 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6384 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1947 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1947 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8176 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5900 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8176 1.1324 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
25 15 1 0 0 0 0
S SKP 8
ID FL3FAANP0001
KNApSAcK_ID C00004052
NAME Atalantoflavone
CAS_RN 119309-02-3
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES C(=O)(C=1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)ccc(O)c2
M END
