Mol:FLIDWXNS0009
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2358 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2358 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6795 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1232 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1232 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6795 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5669 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0106 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0106 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5669 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5455 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5455 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1403 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7350 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7350 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1403 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5611 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5611 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3882 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7919 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7919 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3882 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7919 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5931 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5931 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0931 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0931 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1159 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1159 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4015 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4015 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
− | M SBL 2 1 28 | + | M SBL 2 1 28 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 28 -2.1159 -0.4366 | + | M SVB 2 28 -2.1159 -0.4366 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
− | M SBL 1 1 26 | + | M SBL 1 1 26 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 26 -2.5931 1.3062 | + | M SVB 1 26 -2.5931 1.3062 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIDWXNS0009 | + | ID FLIDWXNS0009 |
− | KNApSAcK_ID C00009701 | + | KNApSAcK_ID C00009701 |
− | NAME Leiocalycin;2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene | + | NAME Leiocalycin;2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene |
− | CAS_RN 35930-38-2 | + | CAS_RN 35930-38-2 |
− | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
− | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
− | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
− | SMILES c(c45)c(o3)c(cc4OCO5)c(c32)COc(c12)cc(c(c1OC)O)OC | + | SMILES c(c45)c(o3)c(cc4OCO5)c(c32)COc(c12)cc(c(c1OC)O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.2358 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 8 9 1 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 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 2 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 -2.1159 -0.4366 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -2.5931 1.3062 S SKP 8 ID FLIDWXNS0009 KNApSAcK_ID C00009701 NAME Leiocalycin;2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxypterocarpene CAS_RN 35930-38-2 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c45)c(o3)c(cc4OCO5)c(c32)COc(c12)cc(c(c1OC)O)OC M END