Mol:FLIAAANI0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8957 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8957 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8957 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3394 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7831 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7831 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7831 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3394 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2268 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6705 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6705 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6705 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2268 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1144 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1144 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1144 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1144 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4804 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0752 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0752 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0752 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0752 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4804 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4804 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2268 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2268 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3394 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3394 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4520 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4520 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6694 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6694 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2636 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2636 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8578 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4520 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8578 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8578 0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 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 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAANI0005 | + | ID FLIAAANI0005 |
− | KNApSAcK_ID C00009831 | + | KNApSAcK_ID C00009831 |
− | NAME Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone | + | NAME Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone |
− | CAS_RN 68436-47-5 | + | CAS_RN 68436-47-5 |
− | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
− | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
− | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
− | SMILES c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)O | + | SMILES c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)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/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.8957 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.9020 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 S SKP 8 ID FLIAAANI0005 KNApSAcK_ID C00009831 NAME Isowighteone;3'-Prenylgenistein;5,7,4'-Trihydroxy-3'-prenylisoflavone CAS_RN 68436-47-5 FORMULA C20H18O5 EXACTMASS 338.115423686 AVERAGEMASS 338.35392 SMILES c(c3)(cc(c(O)c3)CC=C(C)C)C(C(=O)1)=COc(c2)c1c(cc(O)2)O M END