Mol:FLIDHXNS0002
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 25 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7986 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7986 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7986 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7986 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2982 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2982 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7978 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7978 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7978 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7978 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2982 0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2982 0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2973 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2973 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2031 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2031 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2031 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2031 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2973 0.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2973 0.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1772 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1772 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3975 -0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3975 -0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6326 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6326 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7372 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7372 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3119 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3119 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5470 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5470 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2073 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2073 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6884 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6884 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7406 -0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7406 -0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7414 -1.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7414 -1.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2418 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2418 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1217 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1217 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4493 1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4493 1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0325 1.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0325 1.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2418 1.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2418 1.0397 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 1 0 0 0 0 | + | 8 9 1 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 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 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 16 1 0 0 0 0 | + | 22 16 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 1 1 0 0 0 0 | + | 25 1 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNS0002 | + | ID FLIDHXNS0002 |
| − | KNApSAcK_ID C00002506 | + | KNApSAcK_ID C00002506 |
| − | NAME (-)-Acanthocarpan | + | NAME (-)-Acanthocarpan |
| − | CAS_RN 70285-12-0 | + | CAS_RN 70285-12-0 |
| − | FORMULA C17H12O7 | + | FORMULA C17H12O7 |
| − | EXACTMASS 328.058302738 | + | EXACTMASS 328.058302738 |
| − | AVERAGEMASS 328.27297999999996 | + | AVERAGEMASS 328.27297999999996 |
| − | SMILES C(O1)Oc(c2)c1cc(O3)c2C(O)(C6)C([H])3c(c4)c(O6)c(O5)c(OC5)c4 | + | SMILES C(O1)Oc(c2)c1cc(O3)c2C(O)(C6)C([H])3c(c4)c(O6)c(O5)c(OC5)c4 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 30 0 0 0 0 0 0 0 0999 V2000
-1.7986 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7986 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7978 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2982 0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 0.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3975 -0.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6326 -0.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7372 -1.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3119 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5470 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6884 0.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7406 -0.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7414 -1.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2418 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1217 -0.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4493 1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0325 1.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2418 1.0397 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 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 13 1 0 0 0 0
8 18 1 6 0 0 0
7 19 1 6 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 16 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 1 1 0 0 0 0
S SKP 8
ID FLIDHXNS0002
KNApSAcK_ID C00002506
NAME (-)-Acanthocarpan
CAS_RN 70285-12-0
FORMULA C17H12O7
EXACTMASS 328.058302738
AVERAGEMASS 328.27297999999996
SMILES C(O1)Oc(c2)c1cc(O3)c2C(O)(C6)C([H])3c(c4)c(O6)c(O5)c(OC5)c4
M END
