Mol:FL63ACNC0006
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 |
| − | 2.8501 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8501 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8501 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8501 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5646 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5646 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8501 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8501 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1357 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1357 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4212 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4212 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4212 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4212 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8501 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8501 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7067 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7067 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0078 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0078 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0078 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0078 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7067 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7067 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7222 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7222 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4328 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4328 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4328 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4328 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7222 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7222 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8540 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8540 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5646 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5646 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8540 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8540 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8540 -2.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8540 -2.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2791 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2791 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0078 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0078 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7067 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7067 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5646 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5646 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4212 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4212 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2791 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2791 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 4 11 1 0 0 0 0 | + | 4 11 1 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 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 10 2 0 0 0 0 | + | 15 10 2 0 0 0 0 |
| − | 16 14 1 6 0 0 0 | + | 16 14 1 6 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 21 28 1 6 0 0 0 | + | 21 28 1 6 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | 7 30 2 0 0 0 0 | + | 7 30 2 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 5 32 1 0 0 0 0 | + | 5 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63ACNC0006 | + | ID FL63ACNC0006 |
| − | KNApSAcK_ID C00013257 | + | KNApSAcK_ID C00013257 |
| − | NAME (-)-Amurensisin;Amurensisin;2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one | + | NAME (-)-Amurensisin;Amurensisin;2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one |
| − | CAS_RN 280576-19-4 | + | CAS_RN 280576-19-4 |
| − | FORMULA C22H16O10 | + | FORMULA C22H16O10 |
| − | EXACTMASS 440.074346732 | + | EXACTMASS 440.074346732 |
| − | AVERAGEMASS 440.35644 | + | AVERAGEMASS 440.35644 |
| − | SMILES O(c12)C(c(c5)cc(c34)c(c(O)5)OC(c3cc(c(c4O)O)O)=O)C(O)Cc1c(O)cc(O)c2 | + | SMILES O(c12)C(c(c5)cc(c34)c(c(O)5)OC(c3cc(c(c4O)O)O)=O)C(O)Cc1c(O)cc(O)c2 |
M END | M END | ||
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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
2.8501 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5646 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8501 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0078 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0078 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7222 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4328 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4328 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7222 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5646 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5646 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 -2.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2791 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0078 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7067 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5646 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4212 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2791 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 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 2 1 0 0 0 0
4 11 1 0 0 0 0
9 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 10 2 0 0 0 0
16 14 1 6 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 16 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 19 1 0 0 0 0
25 26 1 0 0 0 0
23 27 1 0 0 0 0
21 28 1 6 0 0 0
12 29 1 0 0 0 0
7 30 2 0 0 0 0
3 31 1 0 0 0 0
5 32 1 0 0 0 0
S SKP 8
ID FL63ACNC0006
KNApSAcK_ID C00013257
NAME (-)-Amurensisin;Amurensisin;2-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,8,9,10-tetrahydroxy-6H-Dibenzo[b,d]pyran-6-one
CAS_RN 280576-19-4
FORMULA C22H16O10
EXACTMASS 440.074346732
AVERAGEMASS 440.35644
SMILES O(c12)C(c(c5)cc(c34)c(c(O)5)OC(c3cc(c(c4O)O)O)=O)C(O)Cc1c(O)cc(O)c2
M END
