Mol:FL3FALNI0015
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
− | 0.0000 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0000 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4289 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4289 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5724 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5724 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1434 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7145 -3.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -3.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2868 0.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 0.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7145 -3.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -3.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1434 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8579 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2868 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2868 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5724 -3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5724 -3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8579 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5712 1.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5712 1.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5712 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5712 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2833 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2833 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8591 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8591 3.0913 0.0000 C 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 |
− | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 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 |
− | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
− | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
− | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
− | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FALNI0015 | + | ID FL3FALNI0015 |
− | KNApSAcK_ID C00013414 | + | KNApSAcK_ID C00013414 |
− | NAME Cudraflavone D;2-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Cudraflavone D;2-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 130335-49-8 | + | CAS_RN 130335-49-8 |
− | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
− | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
− | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
− | SMILES c(c1O)(C(=C3)Oc(c2)c(C3=O)c(c(CC=C(C)C)c2O)O)cc(CC=C(C)C)c(O)c1 | + | SMILES c(c1O)(C(=C3)Oc(c2)c(C3=O)c(c(CC=C(C)C)c2O)O)cc(CC=C(C)C)c(O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 0.0000 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 1.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 3.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 3.0913 0.0000 C 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 1 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 2 1 0 0 0 0 9 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 4 19 1 0 0 0 0 6 20 1 0 0 0 0 12 21 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FL3FALNI0015 KNApSAcK_ID C00013414 NAME Cudraflavone D;2-[2,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one CAS_RN 130335-49-8 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c1O)(C(=C3)Oc(c2)c(C3=O)c(c(CC=C(C)C)c2O)O)cc(CC=C(C)C)c(O)c1 M END