Mol:FLIDHXNI0003
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 |
| − | -1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNI0003 | + | ID FLIDHXNI0003 |
| − | KNApSAcK_ID C00009688 | + | KNApSAcK_ID C00009688 |
| − | NAME Glyceocarpin;Glyceollidin II;3,6a,9-Trihydroxy-2-prenylpterocarpan | + | NAME Glyceocarpin;Glyceollidin II;3,6a,9-Trihydroxy-2-prenylpterocarpan |
| − | CAS_RN 77979-22-7 | + | CAS_RN 77979-22-7 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(O)c(c1)CC=C(C)C | + | SMILES C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(O)c(c1)CC=C(C)C |
M END | M END | ||
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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
-1.4496 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2252 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0059 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 0.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
8 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FLIDHXNI0003
KNApSAcK_ID C00009688
NAME Glyceocarpin;Glyceollidin II;3,6a,9-Trihydroxy-2-prenylpterocarpan
CAS_RN 77979-22-7
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(C(O)42)Oc(c(C2Oc(c43)cc(O)cc3)1)cc(O)c(c1)CC=C(C)C
M END
