Mol:FL7AEGNS0001
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 0.3572 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2036 ...) |
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Line 52: | Line 52: | ||
20 23 1 0 | 20 23 1 0 | ||
M CHG 1 3 1 | M CHG 1 3 1 | ||
− | S SKP | + | S SKP 7 |
ID FL7AEGNS0001 | ID FL7AEGNS0001 | ||
+ | NAME 6-Hydroxydelphinidin | ||
+ | CAS_RN 178436-68-5 | ||
FORMULA C15H11O8 | FORMULA C15H11O8 | ||
EXACTMASS 319.045392328 | EXACTMASS 319.045392328 | ||
+ | AVERAGEMASS | ||
+ | SMILES | ||
AVERAGEMASS 319.24304 | AVERAGEMASS 319.24304 | ||
SMILES Oc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(O)3)c(cc(O)c(O)3)2 | SMILES Oc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(O)3)c(cc(O)c(O)3)2 | ||
M END | M END |
Latest revision as of 13:16, 24 December 2009
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 0.3572 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 0.2036 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.3537 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 -1.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 -0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 1.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 -2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -1.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 2 0 2 6 1 0 3 7 1 0 4 8 2 0 4 9 1 0 5 10 1 0 6 11 2 0 7 12 1 0 7 13 2 0 10 14 2 0 10 15 1 0 11 16 1 0 12 17 2 0 13 18 1 0 14 19 1 0 17 20 1 0 17 21 1 0 18 22 1 0 8 12 1 0 11 14 1 0 18 20 2 0 20 23 1 0 M CHG 1 3 1 S SKP 7 ID FL7AEGNS0001 NAME 6-Hydroxydelphinidin CAS_RN 178436-68-5 FORMULA C15H11O8 EXACTMASS 319.045392328 AVERAGEMASS SMILES AVERAGEMASS 319.24304 SMILES Oc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(O)3)c(cc(O)c(O)3)2 M END