Mol:FL3FALNI0001
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2003 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2003 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2003 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2003 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6440 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6440 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0877 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0877 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0877 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0877 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6440 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6440 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0249 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0249 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0249 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0249 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5810 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5810 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1479 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1479 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7149 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7149 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7149 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7149 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1479 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1479 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5810 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5810 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7564 0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7564 0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6440 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6440 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7564 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7564 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3125 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3125 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8674 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8674 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2817 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2817 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5810 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5810 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1479 0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1479 0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5702 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5702 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1304 -1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1304 -1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1196 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1196 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7013 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7013 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2742 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2742 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2817 -0.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2817 -0.7128 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 13 1 0 0 0 0 | + | 25 13 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0001 | + | ID FL3FALNI0001 |
| − | KNApSAcK_ID C00004021 | + | KNApSAcK_ID C00004021 |
| − | NAME Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one | + | NAME Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one |
| − | CAS_RN 123064-86-8 | + | CAS_RN 123064-86-8 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES CC(C)C=Cc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O | + | SMILES CC(C)C=Cc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.2003 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2003 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0877 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0877 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5810 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5810 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3125 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5810 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1304 -1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1196 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7013 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2742 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2817 -0.7128 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
25 13 1 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
22 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL3FALNI0001
KNApSAcK_ID C00004021
NAME Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 123064-86-8
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES CC(C)C=Cc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O
M END
