Mol:FLIAAANI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.6694 -1.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -1.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
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| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
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| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANI0006 | + | ID FLIAAANI0006 |
| − | KNApSAcK_ID C00009840 | + | KNApSAcK_ID C00009840 |
| − | NAME Flemiphyllin;5,7,4'-Trihydroxy-8,3',5'-triprenylisoflavone | + | NAME Flemiphyllin;5,7,4'-Trihydroxy-8,3',5'-triprenylisoflavone |
| − | CAS_RN 92519-86-3 | + | CAS_RN 92519-86-3 |
| − | FORMULA C30H34O5 | + | FORMULA C30H34O5 |
| − | EXACTMASS 474.240624198 | + | EXACTMASS 474.240624198 |
| − | AVERAGEMASS 474.58796000000007 | + | AVERAGEMASS 474.58796000000007 |
| − | SMILES O=C(C=2c(c3)cc(CC=C(C)C)c(O)c(CC=C(C)C)3)c(c(OC2)1)c(cc(O)c1CC=C(C)C)O | + | SMILES O=C(C=2c(c3)cc(CC=C(C)C)c(O)c(CC=C(C)C)3)c(c(OC2)1)c(cc(O)c1CC=C(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/
35 37 0 0 0 0 0 0 0 0999 V2000
-2.8957 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8957 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 -0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7831 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2268 -0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6705 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4804 -1.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4804 0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6694 -1.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8578 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3394 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4516 3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -1.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0746 -2.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4804 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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28 29 1 0 0 0 0
28 30 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FLIAAANI0006
KNApSAcK_ID C00009840
NAME Flemiphyllin;5,7,4'-Trihydroxy-8,3',5'-triprenylisoflavone
CAS_RN 92519-86-3
FORMULA C30H34O5
EXACTMASS 474.240624198
AVERAGEMASS 474.58796000000007
SMILES O=C(C=2c(c3)cc(CC=C(C)C)c(O)c(CC=C(C)C)3)c(c(OC2)1)c(cc(O)c1CC=C(C)C)O
M END
