Mol:FLIDHXNI0004
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0044 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0044 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4481 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8918 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8918 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8918 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4481 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3355 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2208 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2208 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2208 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3355 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3355 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7769 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7769 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3717 -2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9665 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9665 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9665 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3717 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3717 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3296 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3296 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5607 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5607 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5607 -2.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5607 -2.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7769 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7769 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4481 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4481 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8920 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8920 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4243 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4243 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3597 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3597 2.1001 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 1 0 0 0 0 | + | 7 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 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 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIDHXNI0004 | + | ID FLIDHXNI0004 |
− | KNApSAcK_ID C00009689 | + | KNApSAcK_ID C00009689 |
− | NAME Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan | + | NAME Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan |
− | CAS_RN 77979-21-6 | + | CAS_RN 77979-21-6 |
− | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
− | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
− | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
− | SMILES C(c(c4O)c(c(cc4)1)OCC(O)(c32)C1Oc2cc(O)cc3)C=C(C)C | + | SMILES C(c(c4O)c(c(cc4)1)OCC(O)(c32)C1Oc2cc(O)cc3)C=C(C)C |
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 28 0 0 0 0 0 0 0 0999 V2000 -2.0044 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -1.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -2.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -0.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 2.1001 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 1 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 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 8 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FLIDHXNI0004 KNApSAcK_ID C00009689 NAME Glyceollidin I;3,6a,9-Trihydroxy-4-prenylpterocarpan CAS_RN 77979-21-6 FORMULA C20H20O5 EXACTMASS 340.13107375 AVERAGEMASS 340.3698 SMILES C(c(c4O)c(c(cc4)1)OCC(O)(c32)C1Oc2cc(O)cc3)C=C(C)C M END