Mol:FL3FAANP0009
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 |
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| − | -3.2151 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 4 30 1 0 0 0 0 | + | 4 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANP0009 | + | ID FL3FAANP0009 |
| − | KNApSAcK_ID C00013456 | + | KNApSAcK_ID C00013456 |
| − | NAME Yinyanghuo A;(-)-5,7-Dihydroxy-2-[8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-4H-1-benzopyran-4-one | + | NAME Yinyanghuo A;(-)-5,7-Dihydroxy-2-[8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-4H-1-benzopyran-4-one |
| − | CAS_RN 174391-72-1 | + | CAS_RN 174391-72-1 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(=O)(C=2)c(c(OC2c(c3)cc(CC(C(C)=C)O)c(O4)c(C=CC4(C)C)3)1)c(cc(O)c1)O | + | SMILES C(=O)(C=2)c(c(OC2c(c3)cc(CC(C(C)=C)O)c(O4)c(C=CC4(C)C)3)1)c(cc(O)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
-1.7862 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2151 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9296 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9296 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 5 1 0 0 0 0
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17 16 1 0 0 0 0
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21 12 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
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24 27 1 0 0 0 0
20 28 1 0 0 0 0
20 29 1 0 0 0 0
4 30 1 0 0 0 0
17 31 1 0 0 0 0
S SKP 8
ID FL3FAANP0009
KNApSAcK_ID C00013456
NAME Yinyanghuo A;(-)-5,7-Dihydroxy-2-[8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl]-4H-1-benzopyran-4-one
CAS_RN 174391-72-1
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(=O)(C=2)c(c(OC2c(c3)cc(CC(C(C)=C)O)c(O4)c(C=CC4(C)C)3)1)c(cc(O)c1)O
M END
