Mol:FL3F1ANP0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
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| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1ANP0001 | + | ID FL3F1ANP0001 |
| − | KNApSAcK_ID C00004092 | + | KNApSAcK_ID C00004092 |
| − | NAME Kanzonol E;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Kanzonol E;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 155233-21-9 | + | CAS_RN 155233-21-9 |
| − | FORMULA C25H24O4 | + | FORMULA C25H24O4 |
| − | EXACTMASS 388.167459256 | + | EXACTMASS 388.167459256 |
| − | AVERAGEMASS 388.45565999999997 | + | AVERAGEMASS 388.45565999999997 |
| − | SMILES c(c4)(CC=C(C)C)c(cc(c43)OC(=CC3=O)c(c1)cc(C=2)c(OC(C2)(C)C)c1)O | + | SMILES c(c4)(CC=C(C)C)c(cc(c43)OC(=CC3=O)c(c1)cc(C=2)c(OC(C2)(C)C)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/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.6167 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6167 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0604 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5041 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5041 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0604 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0522 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6085 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6085 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0522 0.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0522 -1.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7315 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2985 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2985 1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7315 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 1.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2838 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8120 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3255 0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3255 0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8120 1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8387 1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3255 1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4 5 2 0 0 0 0
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10 5 1 0 0 0 0
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12 13 2 0 0 0 0
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14 15 2 0 0 0 0
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2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
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25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 15 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FL3F1ANP0001
KNApSAcK_ID C00004092
NAME Kanzonol E;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 155233-21-9
FORMULA C25H24O4
EXACTMASS 388.167459256
AVERAGEMASS 388.45565999999997
SMILES c(c4)(CC=C(C)C)c(cc(c43)OC(=CC3=O)c(c1)cc(C=2)c(OC(C2)(C)C)c1)O
M END
