Mol:FL3FCCNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.1434 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
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| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
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| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
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| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
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| − | 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCCNI0001 | + | ID FL3FCCNI0001 |
| − | KNApSAcK_ID C00013393 | + | KNApSAcK_ID C00013393 |
| − | NAME Muxiangrin III;Muxiangrine III;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one | + | NAME Muxiangrin III;Muxiangrine III;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| − | CAS_RN 223917-06-4 | + | CAS_RN 223917-06-4 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES CC(C)=CCc(c1)c(c(cc1C(=C3)Oc(c(C(=O)3)2)c(C)c(c(C)c2O)OC)O)O | + | SMILES CC(C)=CCc(c1)c(c(cc1C(=C3)Oc(c(C(=O)3)2)c(C)c(c(C)c2O)OC)O)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/
29 31 0 0 0 0 0 0 0 0999 V2000
-0.7145 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -3.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -3.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4289 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4301 1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4301 2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 3.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 3.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
6 19 1 0 0 0 0
5 20 1 0 0 0 0
3 21 1 0 0 0 0
14 22 1 0 0 0 0
13 23 1 0 0 0 0
18 24 1 0 0 0 0
15 25 1 0 0 0 0
25 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
S SKP 8
ID FL3FCCNI0001
KNApSAcK_ID C00013393
NAME Muxiangrin III;Muxiangrine III;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
CAS_RN 223917-06-4
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES CC(C)=CCc(c1)c(c(cc1C(=C3)Oc(c(C(=O)3)2)c(C)c(c(C)c2O)OC)O)O
M END
