Mol:FL3FA9NP0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5851 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5851 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 0.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 0.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5584 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5584 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2728 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2728 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9873 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9873 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9873 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9873 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2728 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2728 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5583 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5583 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0140 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0140 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4711 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4711 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2915 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2915 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6271 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6271 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1355 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1355 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7486 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7486 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4631 1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4631 1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1117 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1117 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3230 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3230 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9873 1.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9873 1.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7559 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7559 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4457 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4457 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 -2.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -2.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0140 -2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -2.6504 0.0000 C 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 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 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 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 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 19 1 0 0 0 0 | + | 23 19 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 |
| − | 21 28 1 6 0 0 0 | + | 21 28 1 6 0 0 0 |
| − | 19 26 1 6 0 0 0 | + | 19 26 1 6 0 0 0 |
| − | 18 27 1 6 0 0 0 | + | 18 27 1 6 0 0 0 |
| − | 4 29 1 0 0 0 0 | + | 4 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NP0007 | + | ID FL3FA9NP0007 |
| − | KNApSAcK_ID C00013470 | + | KNApSAcK_ID C00013470 |
| − | NAME Multijuginol;(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one | + | NAME Multijuginol;(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 58276-83-8 | + | CAS_RN 58276-83-8 |
| − | FORMULA C22H20O6 | + | FORMULA C22H20O6 |
| − | EXACTMASS 380.125988372 | + | EXACTMASS 380.125988372 |
| − | AVERAGEMASS 380.3906 | + | AVERAGEMASS 380.3906 |
| − | SMILES C(O5)([H])(O1)C([H])(C(C(C)(C)5)O)c(c42)c1cc(c2C(C=C(O4)c(c3)cccc3)=O)OC | + | SMILES C(O5)([H])(O1)C([H])(C(C(C)(C)5)O)c(c42)c1cc(c2C(C=C(O4)c(c3)cccc3)=O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-0.5851 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 0.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5583 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4711 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2915 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1355 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 2.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1117 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 2.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9873 1.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 1.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -2.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -2.6504 0.0000 C 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 28 1 6 0 0 0
19 26 1 6 0 0 0
18 27 1 6 0 0 0
4 29 1 0 0 0 0
29 30 1 0 0 0 0
S SKP 8
ID FL3FA9NP0007
KNApSAcK_ID C00013470
NAME Multijuginol;(7aR,10S,10aS)-rel-(+)-7a,9,10,10a-Tetrahydro-10-hydroxy-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 58276-83-8
FORMULA C22H20O6
EXACTMASS 380.125988372
AVERAGEMASS 380.3906
SMILES C(O5)([H])(O1)C([H])(C(C(C)(C)5)O)c(c42)c1cc(c2C(C=C(O4)c(c3)cccc3)=O)OC
M END
