Mol:FL1CA9NF0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5517 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5517 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5517 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5517 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8372 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8372 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1227 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1227 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1227 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1227 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8372 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8372 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5917 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5917 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5917 -1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5917 -1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3062 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3062 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0207 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0207 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7352 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7352 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4496 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4496 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1641 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1641 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1641 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1641 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4496 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4496 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7352 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7352 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8372 -1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8372 -1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3363 1.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3363 1.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8212 0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8212 0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3363 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3363 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6058 0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6058 0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6058 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6058 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8212 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8212 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1641 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1641 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6058 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6058 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5379 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5379 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0372 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0372 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1702 1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1702 1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 23 26 1 6 0 0 0 | + | 23 26 1 6 0 0 0 |
| − | 20 27 1 6 0 0 0 | + | 20 27 1 6 0 0 0 |
| − | 19 28 1 6 0 0 0 | + | 19 28 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NF0001 | + | ID FL1CA9NF0001 |
| − | KNApSAcK_ID C00014440 | + | KNApSAcK_ID C00014440 |
| − | NAME (+)-Tephrosone;3-Phenyl-1-[(3S,3aS,8aR)-2,3,3a,8a-tetrahydro-3,4-dihydroxy-2,2-dimethylfuro[2,3-b]benzofuran-5-yl]-2-propen-1-one | + | NAME (+)-Tephrosone;3-Phenyl-1-[(3S,3aS,8aR)-2,3,3a,8a-tetrahydro-3,4-dihydroxy-2,2-dimethylfuro[2,3-b]benzofuran-5-yl]-2-propen-1-one |
| − | CAS_RN 93753-30-1 | + | CAS_RN 93753-30-1 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES OC(C1(C)C)C(c23)([H])C([H])(Oc2ccc(C(=O)C=Cc(c4)cccc4)c3O)O1 | + | SMILES OC(C1(C)C)C(c23)([H])C([H])(Oc2ccc(C(=O)C=Cc(c4)cccc4)c3O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.5517 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5517 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8372 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8372 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5917 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5917 -1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3062 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0207 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7352 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1641 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1641 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7352 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8372 -1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3363 1.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8212 0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3363 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8212 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1641 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5379 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0372 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1702 1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 20 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
23 26 1 6 0 0 0
20 27 1 6 0 0 0
19 28 1 6 0 0 0
S SKP 8
ID FL1CA9NF0001
KNApSAcK_ID C00014440
NAME (+)-Tephrosone;3-Phenyl-1-[(3S,3aS,8aR)-2,3,3a,8a-tetrahydro-3,4-dihydroxy-2,2-dimethylfuro[2,3-b]benzofuran-5-yl]-2-propen-1-one
CAS_RN 93753-30-1
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES OC(C1(C)C)C(c23)([H])C([H])(Oc2ccc(C(=O)C=Cc(c4)cccc4)c3O)O1
M END
