Mol:FLIC1LNF0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7225 -0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7225 -0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 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 1 0 0 0 0 | + | 8 9 1 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIC1LNF0002 | + | ID FLIC1LNF0002 |
− | KNApSAcK_ID C00010034 | + | KNApSAcK_ID C00010034 |
− | NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan | + | NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan |
− | CAS_RN 121747-87-3 | + | CAS_RN 121747-87-3 |
− | FORMULA C20H22O4 | + | FORMULA C20H22O4 |
− | EXACTMASS 326.151809192 | + | EXACTMASS 326.151809192 |
− | AVERAGEMASS 326.38628 | + | AVERAGEMASS 326.38628 |
− | SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1 | + | SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7225 -0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 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 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 S SKP 8 ID FLIC1LNF0002 KNApSAcK_ID C00010034 NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan CAS_RN 121747-87-3 FORMULA C20H22O4 EXACTMASS 326.151809192 AVERAGEMASS 326.38628 SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1 M END