Mol:FL5FECNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 38 0 0 0 0 0 0 0 0999 V2000 | + | 36 38 0 0 0 0 0 0 0 0999 V2000 |
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| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
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| − | 11 25 1 0 0 0 0 | + | 11 25 1 0 0 0 0 |
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| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
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| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNI0002 | + | ID FL5FECNI0002 |
| − | KNApSAcK_ID C00013528 | + | KNApSAcK_ID C00013528 |
| − | NAME Geranioloxyalatum flavone;3,5-Dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy-4H-1-benzopyran-4-one | + | NAME Geranioloxyalatum flavone;3,5-Dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 252351-60-3 | + | CAS_RN 252351-60-3 |
| − | FORMULA C27H34O9 | + | FORMULA C27H34O9 |
| − | EXACTMASS 502.220282686 | + | EXACTMASS 502.220282686 |
| − | AVERAGEMASS 502.55346000000003 | + | AVERAGEMASS 502.55346000000003 |
| − | SMILES C(CC(CCOc(c1)c(cc(C(=C3O)Oc(c(C3=O)2)cc(c(OC)c(O)2)OC)c1)O)C)CC(C)(C)O | + | SMILES C(CC(CCOc(c1)c(cc(C(=C3O)Oc(c(C3=O)2)cc(c(OC)c(O)2)OC)c1)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/
36 38 0 0 0 0 0 0 0 0999 V2000
-3.5708 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5660 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8837 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1315 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8491 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7375 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4344 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2533 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9859 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9979 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3040 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0066 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0121 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4125 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2907 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8704 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4315 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7070 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7057 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4201 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4214 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6823 -1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3968 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1346 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8491 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8491 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5635 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2780 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9925 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7070 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3915 0.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4214 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2373 0.8281 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
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15 16 1 0 0 0 0
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3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
13 22 1 0 0 0 0
21 23 1 0 0 0 0
20 24 1 0 0 0 0
11 25 1 0 0 0 0
25 26 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
S SKP 8
ID FL5FECNI0002
KNApSAcK_ID C00013528
NAME Geranioloxyalatum flavone;3,5-Dihydroxy-2-[3-hydroxy-4-[(7-hydroxy-3,7-dimethyloctyl)oxy]phenyl]-6,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 252351-60-3
FORMULA C27H34O9
EXACTMASS 502.220282686
AVERAGEMASS 502.55346000000003
SMILES C(CC(CCOc(c1)c(cc(C(=C3O)Oc(c(C3=O)2)cc(c(OC)c(O)2)OC)c1)O)C)CC(C)(C)O
M END
