Mol:FL3FAENF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8566 -1.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8566 -1.2684 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 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 20 4 2 0 0 0 0 | + | 20 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 |
| − | 12 16 1 0 0 0 0 | + | 12 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 2 0 0 0 0 | + | 25 28 2 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 24 31 1 1 0 0 0 | + | 24 31 1 1 0 0 0 |
| − | 23 32 1 1 0 0 0 | + | 23 32 1 1 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAENF0001 | + | ID FL3FAENF0001 |
| − | KNApSAcK_ID C00013454 | + | KNApSAcK_ID C00013454 |
| − | NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione | + | NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione |
| − | CAS_RN 144049-86-5 | + | CAS_RN 144049-86-5 |
| − | FORMULA C22H16O8 | + | FORMULA C22H16O8 |
| − | EXACTMASS 408.08451748799996 | + | EXACTMASS 408.08451748799996 |
| − | AVERAGEMASS 408.35764000000006 | + | AVERAGEMASS 408.35764000000006 |
| − | SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O | + | SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8566 -1.2684 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 21 2 0 0 0 0
20 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
12 16 1 0 0 0 0
16 17 1 0 0 0 0
11 18 1 0 0 0 0
4 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 24 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
23 27 1 0 0 0 0
25 28 2 0 0 0 0
26 29 1 0 0 0 0
27 30 1 0 0 0 0
24 31 1 1 0 0 0
23 32 1 1 0 0 0
S SKP 8
ID FL3FAENF0001
KNApSAcK_ID C00013454
NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione
CAS_RN 144049-86-5
FORMULA C22H16O8
EXACTMASS 408.08451748799996
AVERAGEMASS 408.35764000000006
SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O
M END
