Mol:FL3FA9NP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8484 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8484 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2642 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2642 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3768 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3768 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3768 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3768 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8205 -1.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8205 -1.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9329 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9329 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4999 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4999 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0668 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0668 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0668 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0668 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4999 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4999 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9329 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9329 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8484 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4047 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4047 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4047 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4047 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0276 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0276 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8001 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8001 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4045 -0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4045 -0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9594 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9594 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0668 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0668 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0412 -1.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0412 -1.2890 0.0000 O 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 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 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NP0003 | + | ID FL3FA9NP0003 |
| − | KNApSAcK_ID C00004045 | + | KNApSAcK_ID C00004045 |
| − | NAME Fulvinervin C;(E)-5-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-6-[(1E)-3-hydroxy-3-methyl-1-butenyl]-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME Fulvinervin C;(E)-5-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-6-[(1E)-3-hydroxy-3-methyl-1-butenyl]-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 104363-11-3 | + | CAS_RN 104363-11-3 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES C(C4(C)C)=Cc(c12)c(O4)c(c(c1C(C=C(c(c3)cccc3)O2)=O)O)C=CC(C)(C)O | + | SMILES C(C4(C)C)=Cc(c12)c(O4)c(c(c1C(C=C(c(c3)cccc3)O2)=O)O)C=CC(C)(C)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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.8484 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -0.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8205 -1.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 -0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 0.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0276 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8001 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4045 -0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9594 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0668 -0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 -1.2890 0.0000 O 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL3FA9NP0003
KNApSAcK_ID C00004045
NAME Fulvinervin C;(E)-5-Hydroxy-6-(3-hydroxy-3-methyl-1-butenyl)-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;5-Hydroxy-6-[(1E)-3-hydroxy-3-methyl-1-butenyl]-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 104363-11-3
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES C(C4(C)C)=Cc(c12)c(O4)c(c(c1C(C=C(c(c3)cccc3)O2)=O)O)C=CC(C)(C)O
M END
