Mol:FL3FAACS0080
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
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− | 0.8689 1.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8689 1.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -0.5600 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5600 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8689 -1.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8689 -1.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3848 1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3848 1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0992 0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0992 0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8137 1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8137 1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8137 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8137 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0992 2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0992 2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3848 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3848 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4972 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4972 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5600 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5600 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9650 1.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9650 1.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0140 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0140 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6013 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6013 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8030 -0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8030 -0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0095 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0095 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4221 0.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4221 0.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2205 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2205 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3774 0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3774 0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4972 -0.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4972 -0.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0500 -0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0500 -0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9745 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9745 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.1004 0.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1004 0.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3379 1.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3379 1.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5129 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5129 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 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 |
− | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
− | 1 12 1 0 0 0 0 | + | 1 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
− | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 9 1 0 0 0 0 | + | 24 9 1 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FAACS0080 | + | ID FL3FAACS0080 |
− | KNApSAcK_ID C00014079 | + | KNApSAcK_ID C00014079 |
− | NAME 2'',6''-Di-O-Acetyl isovitexin | + | NAME 2'',6''-Di-O-Acetyl isovitexin |
− | CAS_RN 172286-93-0 | + | CAS_RN 172286-93-0 |
− | FORMULA C25H24O12 | + | FORMULA C25H24O12 |
− | EXACTMASS 516.126776232 | + | EXACTMASS 516.126776232 |
− | AVERAGEMASS 516.4508599999999 | + | AVERAGEMASS 516.4508599999999 |
− | SMILES C(O1)(c(c4O)c(O)c(c(c4)2)C(=O)C=C(c(c3)ccc(c3)O)O2)C(C(C(C1COC(C)=O)O)O)OC(C)=O | + | SMILES C(O1)(c(c4O)c(O)c(c(c4)2)C(=O)C=C(c(c3)ccc(c3)O)O2)C(C(C(C1COC(C)=O)O)O)OC(C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 1.5834 0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 1.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 -0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -1.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8137 1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8137 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 2.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 1.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 -0.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 0.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 -0.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 0.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 -0.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 -1.0166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6046 -2.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 -1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 0.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 1.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 2.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 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 4 1 0 0 0 0 5 11 2 0 0 0 0 1 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 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 10 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 34 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 9 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 S SKP 8 ID FL3FAACS0080 KNApSAcK_ID C00014079 NAME 2'',6''-Di-O-Acetyl isovitexin CAS_RN 172286-93-0 FORMULA C25H24O12 EXACTMASS 516.126776232 AVERAGEMASS 516.4508599999999 SMILES C(O1)(c(c4O)c(O)c(c(c4)2)C(=O)C=C(c(c3)ccc(c3)O)O2)C(C(C(C1COC(C)=O)O)O)OC(C)=O M END