Mol:FLIDHXNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2059 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2059 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2059 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2059 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7055 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7055 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2050 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2050 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2050 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2050 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7055 0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7055 0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2954 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2954 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7959 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7959 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7959 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7959 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2954 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2954 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4156 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4156 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9903 -1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9903 -1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2253 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2253 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3299 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3299 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9046 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9046 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1397 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1397 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8000 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8000 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3341 -1.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3341 -1.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1663 -0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1663 -0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3178 0.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3178 0.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7055 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7055 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2242 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2242 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7430 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7430 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7430 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7430 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1856 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1856 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3341 1.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3341 1.0245 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 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 23 25 1 1 0 0 0 | + | 23 25 1 1 0 0 0 |
| − | 23 26 1 6 0 0 0 | + | 23 26 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNP0001 | + | ID FLIDHXNP0001 |
| − | KNApSAcK_ID C00002530 | + | KNApSAcK_ID C00002530 |
| − | NAME (-)-Glyceollin I | + | NAME (-)-Glyceollin I |
| − | CAS_RN 57103-57-8 | + | CAS_RN 57103-57-8 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES C([H])(c35)(C(COc3c(c(cc5)4)C=CC(C)(C)O4)(O)1)Oc(c2)c(ccc(O)2)1 | + | SMILES C([H])(c35)(C(COc3c(c(cc5)4)C=CC(C)(C)O4)(O)1)Oc(c2)c(ccc(O)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.2059 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2059 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2050 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2050 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2954 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7959 0.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2954 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9903 -1.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2253 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3299 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9046 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1397 -0.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8000 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3341 -1.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1663 -0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 0.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 1.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7430 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7430 0.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1856 1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3341 1.0245 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 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
15 18 1 0 0 0 0
7 19 1 6 0 0 0
8 20 1 6 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 1 0 0 0
23 26 1 6 0 0 0
S SKP 8
ID FLIDHXNP0001
KNApSAcK_ID C00002530
NAME (-)-Glyceollin I
CAS_RN 57103-57-8
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES C([H])(c35)(C(COc3c(c(cc5)4)C=CC(C)(C)O4)(O)1)Oc(c2)c(ccc(O)2)1
M END
