Mol:FL1DA9NM0006
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
− | 2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1693 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1693 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 9 16 2 0 0 0 0 | + | 9 16 2 0 0 0 0 |
− | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 21 | + | M SBL 1 1 21 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 21 -7.8423 5.4958 | + | M SBV 1 21 -7.8423 5.4958 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1DA9NM0006 | + | ID FL1DA9NM0006 |
− | KNApSAcK_ID C00008117 | + | KNApSAcK_ID C00008117 |
− | NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H | + | NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H |
− | CAS_RN 143502-00-5 | + | CAS_RN 143502-00-5 |
− | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
− | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
− | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
− | SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)1 | + | SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)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/ 21 22 0 0 0 0 0 0 0 0999 V2000 2.3913 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7247 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0166 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 -0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1438 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 -0.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4568 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0579 -0.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -1.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 1.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 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 11 2 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 10 1 0 0 0 0 9 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 21 M SMT 1 OCH3 M SBV 1 21 -7.8423 5.4958 S SKP 8 ID FL1DA9NM0006 KNApSAcK_ID C00008117 NAME 2',4'-Dihydroxy-6'-methoxy-3'-methyldihydrochalcone;Myrigalone H CAS_RN 143502-00-5 FORMULA C17H18O4 EXACTMASS 286.120509064 AVERAGEMASS 286.32241999999997 SMILES COc(c1)c(C(=O)CCc(c2)cccc2)c(O)c(C)c(O)1 M END