Mol:FL3FRNNP0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1363 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1363 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1316 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1316 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4265 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4265 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2926 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2926 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2973 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2973 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4148 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4148 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7262 0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7262 0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0141 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0141 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8414 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8414 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5652 -0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5652 -0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8555 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8555 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4353 1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4353 1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4324 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4324 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7201 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7201 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0110 1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0110 1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8555 -1.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8555 -1.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4265 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4265 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1469 2.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1469 2.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8614 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8614 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0047 -0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0047 -0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7215 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7215 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0047 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0047 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6541 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6541 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6541 -2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6541 -2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3704 -1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3704 -1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8414 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8414 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2797 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2797 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2797 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2797 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7026 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7026 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8614 1.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8614 1.5837 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 |
| − | 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 4 21 1 0 0 0 0 | + | 4 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 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 9 27 1 0 0 0 0 | + | 9 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 10 1 0 0 0 0 | + | 30 10 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNP0009 | + | ID FL3FRNNP0009 |
| − | KNApSAcK_ID C00013499 | + | KNApSAcK_ID C00013499 |
| − | NAME Artocommunol CA;(+)-6-Hydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one | + | NAME Artocommunol CA;(+)-6-Hydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one |
| − | CAS_RN 502627-53-4 | + | CAS_RN 502627-53-4 |
| − | FORMULA C26H24O6 | + | FORMULA C26H24O6 |
| − | EXACTMASS 432.1572885 | + | EXACTMASS 432.1572885 |
| − | AVERAGEMASS 432.46515999999997 | + | AVERAGEMASS 432.46515999999997 |
| − | SMILES O(c51)C(C=Cc1c(c(c(c5)O)4)OC(=C(C(=O)4)3)c(c2OC(C=C(C)C)3)ccc(c2)OC)(C)C | + | SMILES O(c51)C(C=Cc1c(c(c(c5)O)4)OC(=C(C(=O)4)3)c(c2OC(C=C(C)C)3)ccc(c2)OC)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.1363 -0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1316 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 -0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2926 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4148 1.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7262 0.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0141 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5652 -0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4353 1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4324 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7201 2.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0110 1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 -1.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4265 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1469 2.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8614 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0047 -0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7215 -0.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0047 -1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6541 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6541 -2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3704 -1.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2797 1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2797 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7026 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8614 1.5837 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
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
19 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
22 7 1 0 0 0 0
8 5 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
9 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 10 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL3FRNNP0009
KNApSAcK_ID C00013499
NAME Artocommunol CA;(+)-6-Hydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one
CAS_RN 502627-53-4
FORMULA C26H24O6
EXACTMASS 432.1572885
AVERAGEMASS 432.46515999999997
SMILES O(c51)C(C=Cc1c(c(c(c5)O)4)OC(=C(C(=O)4)3)c(c2OC(C=C(C)C)3)ccc(c2)OC)(C)C
M END
