Mol:FLIH1LNS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2358 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2358 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6795 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1232 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1232 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6795 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5669 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0106 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0106 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5669 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5455 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5455 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1403 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7350 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7350 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1403 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0246 -1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0246 -1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5455 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3882 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7919 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7919 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3882 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7919 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 1.1573 0.0000 O 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 2 0 0 0 0 | + | 7 8 2 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 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 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIH1LNS0002 | + | ID FLIH1LNS0002 |
− | KNApSAcK_ID C00009782 | + | KNApSAcK_ID C00009782 |
− | NAME 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin | + | NAME 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin |
− | CAS_RN 54300-96-8 | + | CAS_RN 54300-96-8 |
− | FORMULA C16H10O6 | + | FORMULA C16H10O6 |
− | EXACTMASS 298.047738052 | + | EXACTMASS 298.047738052 |
− | AVERAGEMASS 298.24699999999996 | + | AVERAGEMASS 298.24699999999996 |
− | SMILES Oc(c4)cc(O3)c(c4)C=C(C(=O)3)c(c1)c(O)cc(O2)c(OC2)1 | + | SMILES Oc(c4)cc(O3)c(c4)C=C(C(=O)3)c(c1)c(O)cc(O2)c(OC2)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -2.2358 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 -1.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 1.1573 0.0000 O 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 2 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 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 12 17 1 0 0 0 0 9 18 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 1 22 1 0 0 0 0 S SKP 8 ID FLIH1LNS0002 KNApSAcK_ID C00009782 NAME 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin CAS_RN 54300-96-8 FORMULA C16H10O6 EXACTMASS 298.047738052 AVERAGEMASS 298.24699999999996 SMILES Oc(c4)cc(O3)c(c4)C=C(C(=O)3)c(c1)c(O)cc(O2)c(OC2)1 M END