Mol:FL7DEANS0001
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
− | -2.7549 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7549 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7549 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7549 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0405 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0405 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3260 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3260 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0405 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0405 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6115 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6115 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1029 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1029 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1029 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1029 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6115 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.6115 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | -2.0405 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0405 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3738 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3738 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7689 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7689 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4834 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4834 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1979 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1979 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4834 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4834 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7689 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7689 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8320 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8320 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4540 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4540 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6321 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6321 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4540 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4540 1.6285 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 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 |
− | 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 3 11 1 0 0 0 0 | + | 3 11 1 0 0 0 0 |
− | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
− | 9 13 1 0 0 0 0 | + | 9 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | 11 21 1 0 0 0 0 | + | 11 21 1 0 0 0 0 |
− | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7DEANS0001 | + | ID FL7DEANS0001 |
− | KNApSAcK_ID C00014867 | + | KNApSAcK_ID C00014867 |
− | NAME 6,7-Dihydroxy-5,4'-dimethoxy-flavylium;Carajurin | + | NAME 6,7-Dihydroxy-5,4'-dimethoxy-flavylium;Carajurin |
− | CAS_RN - | + | CAS_RN - |
− | FORMULA C17H17O5 | + | FORMULA C17H17O5 |
− | EXACTMASS 301.10759865399996 | + | EXACTMASS 301.10759865399996 |
− | AVERAGEMASS 301.31388 | + | AVERAGEMASS 301.31388 |
− | SMILES COc(c3)ccc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)C(O)1 | + | SMILES COc(c3)ccc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)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/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.7549 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 0.8035 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -2.0405 -1.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3738 0.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4834 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4834 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4540 -0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.6285 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 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 2 0 0 0 0 10 5 1 0 0 0 0 3 11 1 0 0 0 0 1 12 1 0 0 0 0 9 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 2 20 1 0 0 0 0 11 21 1 0 0 0 0 19 22 1 0 0 0 0 S SKP 8 ID FL7DEANS0001 KNApSAcK_ID C00014867 NAME 6,7-Dihydroxy-5,4'-dimethoxy-flavylium;Carajurin CAS_RN - FORMULA C17H17O5 EXACTMASS 301.10759865399996 AVERAGEMASS 301.31388 SMILES COc(c3)ccc(c3)C(C=2)=[O+1]C(=C1)C(C2)C(OC)=C(O)C(O)1 M END