Mol:FL3FRNNR0006
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -0.7371 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7371 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7324 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7324 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0273 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0273 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6919 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6919 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6965 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6965 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.1255 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1255 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4134 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4134 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4422 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4422 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1613 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1613 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1660 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1660 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4562 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4562 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8345 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8345 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8317 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8317 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1194 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1194 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4103 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4103 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4562 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4562 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0273 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0273 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5462 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5462 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0733 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0733 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.4979 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4979 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9268 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9268 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6246 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6246 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8317 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8317 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5462 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5462 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 4 5 2 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 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 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 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 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 7 1 0 0 0 0 | + | 22 7 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 10 27 1 0 0 0 0 | + | 10 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNR0006 | + | ID FL3FRNNR0006 |
| − | KNApSAcK_ID C00013502 | + | KNApSAcK_ID C00013502 |
| − | NAME Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one | + | NAME Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one |
| − | CAS_RN 60791-47-1 | + | CAS_RN 60791-47-1 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES C(C=24)C(Oc(c1)c(C2Oc(c3)c(C4=O)c(cc(OC)3)O)ccc(O)1)C(C)(C)O | + | SMILES C(C=24)C(Oc(c1)c(C2Oc(c3)c(C4=O)c(cc(OC)3)O)ccc(O)1)C(C)(C)O |
M END | M END | ||
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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
-0.7371 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0273 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6965 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0156 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1255 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4134 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4422 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1613 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1660 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8345 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1194 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0273 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5462 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0733 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7996 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1293 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2121 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4979 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9268 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6246 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8317 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5462 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 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 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 7 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
10 27 1 0 0 0 0
27 28 1 0 0 0 0
S SKP 8
ID FL3FRNNR0006
KNApSAcK_ID C00013502
NAME Oxyisocyclointegrin;6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
CAS_RN 60791-47-1
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES C(C=24)C(Oc(c1)c(C2Oc(c3)c(C4=O)c(cc(OC)3)O)ccc(O)1)C(C)(C)O
M END
