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/ |
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− | -2.3394 -0.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -0.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4520 1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4520 1.2234 0.0000 O 0 0 0 0 0 0 0 0 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 -0.6705 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 -1.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -0.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -0.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 1.2234 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 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 -2.8955 2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 2.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -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 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 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