Mol:FL3FALNP0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3800 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3800 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3800 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2674 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2674 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2889 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2889 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8452 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8452 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8452 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8452 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2889 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2889 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2889 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2889 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4013 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4013 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5352 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4013 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4013 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0487 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0487 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8237 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8237 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0487 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0487 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4926 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4926 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9683 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9683 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4013 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4013 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3906 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3906 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9413 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9413 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9306 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9306 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5014 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5014 -0.9880 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 26 1 0 0 0 0 | + | 27 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0012 | + | ID FL3FALNP0012 |
| − | KNApSAcK_ID C00004098 | + | KNApSAcK_ID C00004098 |
| − | NAME Isocyclomorusin;(+)-3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one | + | NAME Isocyclomorusin;(+)-3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one |
| − | CAS_RN 152186-78-2 | + | CAS_RN 152186-78-2 |
| − | FORMULA C25H22O6 | + | FORMULA C25H22O6 |
| − | EXACTMASS 418.141638436 | + | EXACTMASS 418.141638436 |
| − | AVERAGEMASS 418.43858 | + | AVERAGEMASS 418.43858 |
| − | SMILES c(c32)(C(C(C(C=C(C)C)4)=C(c(c5)c(cc(O)c5)O4)O3)=O)c(O)c(c1c2)C=CC(O1)(C)C | + | SMILES c(c32)(C(C(C(C=C(C)C)4)=C(c(c5)c(cc(O)c5)O4)O3)=O)c(O)c(c1c2)C=CC(O1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.3800 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2889 -0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0487 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8237 -0.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 -0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4013 -0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3906 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9413 -1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9306 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5014 -0.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
18 15 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
13 26 1 0 0 0 0
8 27 1 0 0 0 0
27 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL3FALNP0012
KNApSAcK_ID C00004098
NAME Isocyclomorusin;(+)-3,8-Dihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one
CAS_RN 152186-78-2
FORMULA C25H22O6
EXACTMASS 418.141638436
AVERAGEMASS 418.43858
SMILES c(c32)(C(C(C(C=C(C)C)4)=C(c(c5)c(cc(O)c5)O4)O3)=O)c(O)c(c1c2)C=CC(O1)(C)C
M END
