Mol:FL1CQUNM0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4317 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9880 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9880 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5443 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5443 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5443 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5443 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9880 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9880 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2985 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2985 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8548 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8548 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2576 -0.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2576 -0.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8186 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8186 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2576 -1.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2576 -1.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8186 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8186 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3712 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3712 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9238 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9238 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9238 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9238 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3712 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3712 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3712 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3712 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4764 -0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4764 -0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2659 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2659 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9602 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9602 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8151 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8151 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3729 0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3729 0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5443 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5443 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9880 -1.1050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9880 -1.1050 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 10 2 0 0 0 0 | + | 16 10 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 12 19 2 0 0 0 0 | + | 12 19 2 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 14 22 2 0 0 0 0 | + | 14 22 2 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CQUNM0002 | + | ID FL1CQUNM0002 |
| − | KNApSAcK_ID C00007172 | + | KNApSAcK_ID C00007172 |
| − | NAME 2-Hydroxy-7,8-dehydrograndiflorone | + | NAME 2-Hydroxy-7,8-dehydrograndiflorone |
| − | CAS_RN 77744-54-8 | + | CAS_RN 77744-54-8 |
| − | FORMULA C19H20O5 | + | FORMULA C19H20O5 |
| − | EXACTMASS 328.13107375 | + | EXACTMASS 328.13107375 |
| − | AVERAGEMASS 328.3591 | + | AVERAGEMASS 328.3591 |
| − | SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)C=Cc(c1)c(O)ccc1 | + | SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)C=Cc(c1)c(O)ccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
1.4317 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9880 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5443 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5443 0.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9880 0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8548 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2576 -0.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2576 -1.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3712 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9238 -0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3712 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3712 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4764 -0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2659 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9602 1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8151 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3729 0.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5443 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9880 -1.1050 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 10 2 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
12 19 2 0 0 0 0
13 20 1 0 0 0 0
13 21 1 0 0 0 0
14 22 2 0 0 0 0
15 23 1 0 0 0 0
3 24 1 0 0 0 0
S SKP 8
ID FL1CQUNM0002
KNApSAcK_ID C00007172
NAME 2-Hydroxy-7,8-dehydrograndiflorone
CAS_RN 77744-54-8
FORMULA C19H20O5
EXACTMASS 328.13107375
AVERAGEMASS 328.3591
SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)C=Cc(c1)c(O)ccc1
M END
