Mol:FL3FRNNR0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6657 -1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6657 -1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6610 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6610 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0441 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0441 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7632 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7632 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7679 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7679 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0558 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0558 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3708 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3708 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0899 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0899 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0946 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0946 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3848 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3848 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3848 -2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3848 -2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0441 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0441 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7603 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7603 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4748 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4748 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3433 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3433 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1683 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1683 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7550 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7550 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7550 -0.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7550 -0.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1683 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1683 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3433 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3433 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5808 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5808 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1683 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1683 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3433 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3433 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9308 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9308 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7001 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7001 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3664 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3664 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4748 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4748 -0.6539 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 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 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 1 2 0 0 0 0 | + | 10 1 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 4 15 1 0 0 0 0 | + | 4 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 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 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 5 1 0 0 0 0 | + | 20 5 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNR0007 | + | ID FL3FRNNR0007 |
| − | KNApSAcK_ID C00013503 | + | KNApSAcK_ID C00013503 |
| − | NAME Cyclointegrin;7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one | + | NAME Cyclointegrin;7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one |
| − | CAS_RN 60791-48-2 | + | CAS_RN 60791-48-2 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES C(O2)(c43)=C(CCC(C)(C)Oc(cc(O)cc4)3)C(=O)c(c21)c(cc(OC)c1)O | + | SMILES C(O2)(c43)=C(CCC(C)(C)Oc(cc(O)cc4)3)C(=O)c(c21)c(cc(OC)c1)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.6657 -1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 -0.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0441 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7632 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7679 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0558 0.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3708 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0899 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0946 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3848 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3848 -2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0441 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7603 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4748 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3433 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 -1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7550 -1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7550 -0.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3433 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1683 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3433 1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9308 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7001 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3664 -1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 -0.6539 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
2 7 2 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 1 2 0 0 0 0
10 11 1 0 0 0 0
3 12 2 0 0 0 0
8 13 1 0 0 0 0
13 14 1 0 0 0 0
4 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 5 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 20 1 0 0 0 0
22 25 1 0 0 0 0
17 26 1 0 0 0 0
17 27 1 0 0 0 0
S SKP 8
ID FL3FRNNR0007
KNApSAcK_ID C00013503
NAME Cyclointegrin;7,8-Dihydro-3,10-dihydroxy-12-methoxy-6,6-dimethyl-6H,9H-[1]benzopyrano[3,2-e][1]benzoxocin-9-one
CAS_RN 60791-48-2
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES C(O2)(c43)=C(CCC(C)(C)Oc(cc(O)cc4)3)C(=O)c(c21)c(cc(OC)c1)O
M END
