Mol:FLID1ANP0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 29 34 0 0 0 0 0 0 0 0999 V2000 | + | 29 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.7083 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7083 -1.9397 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 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 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 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
− | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
− | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
− | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
− | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 24 1 0 0 0 0 | + | 27 24 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1ANP0005 | + | ID FLID1ANP0005 |
− | KNApSAcK_ID C00009665 | + | KNApSAcK_ID C00009665 |
− | NAME Folinin | + | NAME Folinin |
− | CAS_RN 26992-36-9 | + | CAS_RN 26992-36-9 |
− | FORMULA C25H26O4 | + | FORMULA C25H26O4 |
− | EXACTMASS 390.18310931999997 | + | EXACTMASS 390.18310931999997 |
− | AVERAGEMASS 390.47153999999995 | + | AVERAGEMASS 390.47153999999995 |
− | SMILES O(C(C)(C)6)c(c(CC6)1)cc(O5)c(C(C(C5)2)Oc(c34)c2ccc3OC(C)(C)C=C4)c1 | + | SMILES O(C(C)(C)6)c(c(CC6)1)cc(O5)c(C(C(C5)2)Oc(c34)c2ccc3OC(C)(C)C=C4)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 29 34 0 0 0 0 0 0 0 0999 V2000 -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -1.9397 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 12 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 14 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 24 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FLID1ANP0005 KNApSAcK_ID C00009665 NAME Folinin CAS_RN 26992-36-9 FORMULA C25H26O4 EXACTMASS 390.18310931999997 AVERAGEMASS 390.47153999999995 SMILES O(C(C)(C)6)c(c(CC6)1)cc(O5)c(C(C(C5)2)Oc(c34)c2ccc3OC(C)(C)C=C4)c1 M END