Mol:FL2FAANF0012
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0827 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0827 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0685 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0685 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3278 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3278 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3460 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3460 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3368 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3368 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3471 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3471 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0513 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0513 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3278 -2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3278 -2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7658 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7658 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4802 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4802 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4802 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4802 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7658 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7658 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0513 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0513 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7758 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7758 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7758 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7758 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7758 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7758 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1008 0.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1008 0.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4972 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4972 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4972 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4972 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9334 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9334 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7523 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7523 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1008 -0.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1008 -0.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4371 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4371 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7597 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7597 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5785 2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5785 2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0749 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0749 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9205 2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9205 2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2633 2.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2633 2.4724 0.0000 O 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 2 14 1 0 0 0 0 | + | 2 14 1 0 0 0 0 |
| − | 14 19 2 0 0 0 0 | + | 14 19 2 0 0 0 0 |
| − | 18 15 2 0 0 0 0 | + | 18 15 2 0 0 0 0 |
| − | 15 1 1 0 0 0 0 | + | 15 1 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 11 17 1 0 0 0 0 | + | 11 17 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANF0012 | + | ID FL2FAANF0012 |
| − | KNApSAcK_ID C00014273 | + | KNApSAcK_ID C00014273 |
| − | NAME Anastatin B;(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one | + | NAME Anastatin B;(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 571186-33-9 | + | CAS_RN 571186-33-9 |
| − | FORMULA C21H14O7 | + | FORMULA C21H14O7 |
| − | EXACTMASS 378.073952802 | + | EXACTMASS 378.073952802 |
| − | AVERAGEMASS 378.33165999999994 | + | AVERAGEMASS 378.33165999999994 |
| − | SMILES o(c45)c(c(c4cc(O)c(O)c5)1)cc(c(C(=O)3)c(OC(C3)c(c2)ccc(O)c2)1)O | + | SMILES o(c45)c(c(c4cc(O)c(O)c5)1)cc(c(C(=O)3)c(OC(C3)c(c2)ccc(O)c2)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.0827 -1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0685 -0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3460 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3368 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3471 -0.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0513 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 -2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7658 -0.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4802 -0.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4802 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7658 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0513 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1008 0.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 -1.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 -0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 0.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7523 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1008 -0.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4371 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7597 1.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5785 2.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0749 1.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9205 2.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2633 2.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
3 8 2 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 7 1 0 0 0 0
2 14 1 0 0 0 0
14 19 2 0 0 0 0
18 15 2 0 0 0 0
15 1 1 0 0 0 0
15 16 1 0 0 0 0
11 17 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
20 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
S SKP 8
ID FL2FAANF0012
KNApSAcK_ID C00014273
NAME Anastatin B;(2S)-2,3-Dihydro-5,9,10-trihydroxy-2-(4-hydroxyphenyl)-4H-benzofuro[2,3-h]-1-benzopyran-4-one
CAS_RN 571186-33-9
FORMULA C21H14O7
EXACTMASS 378.073952802
AVERAGEMASS 378.33165999999994
SMILES o(c45)c(c(c4cc(O)c(O)c5)1)cc(c(C(=O)3)c(OC(C3)c(c2)ccc(O)c2)1)O
M END
