Mol:FL3FALNI0018
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FALNI0018 | + | ID FL3FALNI0018 |
− | KNApSAcK_ID C00013417 | + | KNApSAcK_ID C00013417 |
− | NAME Dorsilurin A;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Dorsilurin A;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 212071-80-2 | + | CAS_RN 212071-80-2 |
− | FORMULA C30H34O6 | + | FORMULA C30H34O6 |
− | EXACTMASS 490.23553882 | + | EXACTMASS 490.23553882 |
− | AVERAGEMASS 490.58736000000005 | + | AVERAGEMASS 490.58736000000005 |
− | SMILES c(O2)(c(C(=O)C=C2c(c3)c(c(c(O)c3)CC=C(C)C)O)1)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O | + | SMILES c(O2)(c(C(=O)C=C2c(c3)c(c(c(O)c3)CC=C(C)C)O)1)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -1.0699 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0735 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3554 -2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 -2.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9278 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3567 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 -2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4977 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -0.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3567 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4977 2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 2.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 2.4729 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 1 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 2 1 0 0 0 0 9 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 7 17 2 0 0 0 0 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 12 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 13 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 28 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL3FALNI0018 KNApSAcK_ID C00013417 NAME Dorsilurin A;2-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 212071-80-2 FORMULA C30H34O6 EXACTMASS 490.23553882 AVERAGEMASS 490.58736000000005 SMILES c(O2)(c(C(=O)C=C2c(c3)c(c(c(O)c3)CC=C(C)C)O)1)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O M END