Mol:FL2F9ANS0002
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1030 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5822 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0613 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0613 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0613 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5822 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1030 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1030 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5822 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5404 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0195 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0195 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0195 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0195 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5404 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5009 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5404 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5404 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0352 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5696 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5696 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5696 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0352 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0352 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5009 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5009 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1030 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1030 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5822 1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5822 1.0017 0.0000 O 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 |
− | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
− | 3 8 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
− | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
− | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
− | 12 14 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2F9ANS0002 | + | ID FL2F9ANS0002 |
− | KNApSAcK_ID C00008392 | + | KNApSAcK_ID C00008392 |
− | NAME 5,8,4'-Trihydroxyflavanone | + | NAME 5,8,4'-Trihydroxyflavanone |
− | CAS_RN 123067-25-4 | + | CAS_RN 123067-25-4 |
− | FORMULA C15H12O5 | + | FORMULA C15H12O5 |
− | EXACTMASS 272.068473494 | + | EXACTMASS 272.068473494 |
− | AVERAGEMASS 272.25278000000003 | + | AVERAGEMASS 272.25278000000003 |
− | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc2)C(=O)1 | + | SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc2)C(=O)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 20 22 0 0 0 0 0 0 0 0999 V2000 -2.1030 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0613 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -1.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5696 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0352 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 1.0017 0.0000 O 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 2 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 4 1 0 0 0 0 10 12 1 0 0 0 0 8 13 2 0 0 0 0 12 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 12 1 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 S SKP 8 ID FL2F9ANS0002 KNApSAcK_ID C00008392 NAME 5,8,4'-Trihydroxyflavanone CAS_RN 123067-25-4 FORMULA C15H12O5 EXACTMASS 272.068473494 AVERAGEMASS 272.25278000000003 SMILES Oc(c3)ccc(c3)C(C1)Oc(c(O)2)c(c(O)cc2)C(=O)1 M END