Mol:FLIA1ANI0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5574 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5574 -2.1852 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 2 0 0 0 0 | + | 4 5 2 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA1ANI0001 | + | ID FLIA1ANI0001 |
− | KNApSAcK_ID C00009432 | + | KNApSAcK_ID C00009432 |
− | NAME Neobavaisoflavone | + | NAME Neobavaisoflavone |
− | CAS_RN 41060-15-5 | + | CAS_RN 41060-15-5 |
− | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
− | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
− | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
− | SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O | + | SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 -2.1852 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 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 8 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 1 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 S SKP 8 ID FLIA1ANI0001 KNApSAcK_ID C00009432 NAME Neobavaisoflavone CAS_RN 41060-15-5 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O M END