Mol:FL2FACNI0018
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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| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0018 | + | ID FL2FACNI0018 |
| − | KNApSAcK_ID C00014205 | + | KNApSAcK_ID C00014205 |
| − | NAME Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone | + | NAME Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone |
| − | CAS_RN 180318-50-7 | + | CAS_RN 180318-50-7 |
| − | FORMULA C22H22O8 | + | FORMULA C22H22O8 |
| − | EXACTMASS 414.13146768 | + | EXACTMASS 414.13146768 |
| − | AVERAGEMASS 414.40528000000006 | + | AVERAGEMASS 414.40528000000006 |
| − | SMILES C(=O)(C2)c(c(OC2c(c3)ccc(c3O)O)1)c(cc(O)c(CC=C(COC(C)=O)C)1)O | + | SMILES C(=O)(C2)c(c(OC2c(c3)ccc(c3O)O)1)c(cc(O)c(CC=C(COC(C)=O)C)1)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/
30 32 0 0 0 0 0 0 0 0999 V2000
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0.4776 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4918 -0.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9064 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8971 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.3027 -0.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0140 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0345 0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3228 1.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2326 -2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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23 26 1 0 0 0 0
26 27 1 0 0 0 0
27 29 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
S SKP 8
ID FL2FACNI0018
KNApSAcK_ID C00014205
NAME Kanzonol S;5,7,3',4'-Tetrahydroxy-8-[4-(acetyloxy)-3-methyl-2-butenyl]flavanone
CAS_RN 180318-50-7
FORMULA C22H22O8
EXACTMASS 414.13146768
AVERAGEMASS 414.40528000000006
SMILES C(=O)(C2)c(c(OC2c(c3)ccc(c3O)O)1)c(cc(O)c(CC=C(COC(C)=O)C)1)O
M END
