Mol:FLIC1LNF0001
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 |
− | -2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9245 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9245 -1.5480 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 |
− | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
− | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIC1LNF0001 | + | ID FLIC1LNF0001 |
− | KNApSAcK_ID C00010031 | + | KNApSAcK_ID C00010031 |
− | NAME Crotmarine | + | NAME Crotmarine |
− | CAS_RN 92662-85-6 | + | CAS_RN 92662-85-6 |
− | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
− | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
− | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
− | SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 | + | SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 |
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 -2.3052 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 2.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 -0.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 1.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 2.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8967 -0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2397 -1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 -2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 -1.5480 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 17 1 1 0 0 0 0 16 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 S SKP 8 ID FLIC1LNF0001 KNApSAcK_ID C00010031 NAME Crotmarine CAS_RN 92662-85-6 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES c(c4)c(C1)c(cc(O)4)OCC(c(c3)c(O)cc(c23)OC(C2)C(C)=C)1 M END