Mol:FL5FFANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7962 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7962 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7962 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7953 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7953 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2056 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2056 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7664 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7664 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2361 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2361 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2948 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2948 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2963 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2963 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2963 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2963 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7057 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7057 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2957 0.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2957 0.9849 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0001 | + | ID FL5FFANS0001 |
| − | KNApSAcK_ID C00001048 | + | KNApSAcK_ID C00001048 |
| − | NAME Herbacetin | + | NAME Herbacetin |
| − | CAS_RN 527-95-7 | + | CAS_RN 527-95-7 |
| − | FORMULA C15H10O7 | + | FORMULA C15H10O7 |
| − | EXACTMASS 302.042652674 | + | EXACTMASS 302.042652674 |
| − | AVERAGEMASS 302.2357 | + | AVERAGEMASS 302.2357 |
| − | SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(O)c(O)c2 | + | SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(O)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7962 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7953 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7664 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2361 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2963 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 -0.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2957 0.9849 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
9 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 0 0 0 0
6 22 1 0 0 0 0
S SKP 8
ID FL5FFANS0001
KNApSAcK_ID C00001048
NAME Herbacetin
CAS_RN 527-95-7
FORMULA C15H10O7
EXACTMASS 302.042652674
AVERAGEMASS 302.2357
SMILES Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c1c(O)c(O)c2
M END
