Mol:FL3FRNNI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1399 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1399 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1352 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1352 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5699 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5699 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2890 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2890 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2937 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2937 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5816 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5816 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7226 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7226 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0105 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0105 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5642 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5642 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5688 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5688 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8591 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8591 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4317 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4317 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4288 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4288 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7165 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7165 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0074 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0074 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8591 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8591 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5699 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5699 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1433 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1433 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6704 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6704 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3967 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3967 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7264 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7264 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8092 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8092 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0950 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0950 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5239 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5239 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2217 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2217 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2346 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2346 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9490 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9490 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2780 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2780 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9285 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9285 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5816 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5816 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5816 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5816 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1433 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1433 -0.3348 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 |
| − | 11 29 1 0 0 0 0 | + | 11 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNI0001 | + | ID FL3FRNNI0001 |
| − | KNApSAcK_ID C00013504 | + | KNApSAcK_ID C00013504 |
| − | NAME Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one | + | NAME Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one |
| − | CAS_RN 161017-02-3 | + | CAS_RN 161017-02-3 |
| − | FORMULA C26H28O7 | + | FORMULA C26H28O7 |
| − | EXACTMASS 452.18350325 | + | EXACTMASS 452.18350325 |
| − | AVERAGEMASS 452.49631999999997 | + | AVERAGEMASS 452.49631999999997 |
| − | SMILES C(C=C(C)C)c(c(O)1)c(OC)cc(O4)c(C(=O)C(=C42)CC(C(C)(C)O)Oc(c3)c2ccc(O)3)1 | + | SMILES C(C=C(C)C)c(c(O)1)c(OC)cc(O4)c(C(=O)C(=C42)CC(C(C)(C)O)Oc(c3)c2ccc(O)3)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.1399 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1352 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2937 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5816 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7226 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0105 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5642 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5688 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4317 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4288 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7165 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0074 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1433 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6704 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3967 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8092 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0950 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5239 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2217 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2346 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9490 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2780 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9285 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5816 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5816 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1433 -0.3348 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
11 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
S SKP 8
ID FL3FRNNI0001
KNApSAcK_ID C00013504
NAME Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
CAS_RN 161017-02-3
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES C(C=C(C)C)c(c(O)1)c(OC)cc(O4)c(C(=O)C(=C42)CC(C(C)(C)O)Oc(c3)c2ccc(O)3)1
M END
