Mol:FL2FALNP0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0020 | + | ID FL2FALNP0020 |
| − | KNApSAcK_ID C00014245 | + | KNApSAcK_ID C00014245 |
| − | NAME Sanggenol O;(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone | + | NAME Sanggenol O;(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone |
| − | CAS_RN 426211-27-0 | + | CAS_RN 426211-27-0 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(C(C4)Oc(c5)c(c(cc5O)O)C4=O)(c23)cc(c1c(C=CC(C)(C)O3)2)C=CC(C)(C)O1 | + | SMILES c(C(C4)Oc(c5)c(c(cc5O)O)C4=O)(c23)cc(c1c(C=CC(C)(C)O3)2)C=CC(C)(C)O1 |
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 35 0 0 0 0 0 0 0 0999 V2000
-3.1604 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1419 -1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7099 -1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6957 -0.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4214 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2811 -1.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2904 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4241 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8226 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8515 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9549 -2.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9441 -0.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3647 -2.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1353 2.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2489 -0.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6052 1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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22 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0020
KNApSAcK_ID C00014245
NAME Sanggenol O;(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone
CAS_RN 426211-27-0
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(C(C4)Oc(c5)c(c(cc5O)O)C4=O)(c23)cc(c1c(C=CC(C)(C)O3)2)C=CC(C)(C)O1
M END
