Mol:FL2FAANI0001
From Metabolomics.JP
(Difference between revisions)
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− | 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 |
− | -2.5417 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5417 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0413 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5408 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5408 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0413 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0404 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5399 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5399 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0404 -0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0398 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4746 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9889 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9889 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4746 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0398 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5399 -0.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0418 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0418 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5021 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0413 -2.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -2.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0404 -2.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -2.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5021 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4746 1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9878 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9878 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9878 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9878 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4998 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4998 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4758 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4758 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0154 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5286 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0418 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5286 -1.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -1.3558 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 |
− | 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 |
− | 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 |
− | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 7 21 2 0 0 0 0 | + | 7 21 2 0 0 0 0 |
− | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
− | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 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 FL2FAANI0001 | + | ID FL2FAANI0001 |
− | KNApSAcK_ID C00000936 | + | KNApSAcK_ID C00000936 |
− | NAME Abyssinone V | + | NAME Abyssinone V |
− | CAS_RN 77263-11-7 | + | CAS_RN 77263-11-7 |
− | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
− | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
− | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
− | SMILES C(=O)(C2)c(c(OC(c(c3)cc(CC=C(C)C)c(O)c3CC=C(C)C)([H])2)1)c(O)cc(c1)O | + | SMILES C(=O)(C2)c(c(OC(c(c3)cc(CC=C(C)C)c(O)c3CC=C(C)C)([H])2)1)c(O)cc(c1)O |
M END | M END | ||
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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 -2.5417 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 0.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0418 -0.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -2.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -2.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9878 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 2.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 -1.3558 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 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 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 7 21 2 0 0 0 0 13 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 22 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 FL2FAANI0001 KNApSAcK_ID C00000936 NAME Abyssinone V CAS_RN 77263-11-7 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES C(=O)(C2)c(c(OC(c(c3)cc(CC=C(C)C)c(O)c3CC=C(C)C)([H])2)1)c(O)cc(c1)O M END