Mol:FL5FACNS0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
− | -1.0764 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0764 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0860 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0860 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4264 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4264 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3241 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3241 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3551 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3551 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3763 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3763 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0696 1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0696 1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7449 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7449 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4937 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4937 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5016 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5016 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7916 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7916 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4264 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4264 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7849 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7849 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5035 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5035 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5059 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5059 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7903 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7903 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0759 2.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0759 2.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0385 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0385 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2476 2.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2476 2.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3241 -1.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3241 -1.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0385 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0385 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7530 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7530 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7916 -1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7916 -1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5060 -2.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5060 -2.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5060 -1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5060 -1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2205 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2205 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2082 1.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2082 1.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9227 0.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9227 0.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9227 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9227 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6371 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6371 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1587 0.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1587 0.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9227 1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9227 1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9227 2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9227 2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6371 2.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6371 2.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
− | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
− | 2 8 2 0 0 0 0 | + | 2 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
− | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
− | 7 13 2 0 0 0 0 | + | 7 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 7 1 0 0 0 0 | + | 17 7 1 0 0 0 0 |
− | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
− | 9 27 1 0 0 0 0 | + | 9 27 1 0 0 0 0 |
− | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
− | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 19 33 1 0 0 0 0 | + | 19 33 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 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 |
− | 27 29 1 0 0 0 0 | + | 27 29 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 |
− | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
− | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACNS0005 | + | ID FL5FACNS0005 |
− | KNApSAcK_ID C00013546 | + | KNApSAcK_ID C00013546 |
− | NAME 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one | + | NAME 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one |
− | CAS_RN 475107-94-9 | + | CAS_RN 475107-94-9 |
− | FORMULA C23H18O11 | + | FORMULA C23H18O11 |
− | EXACTMASS 470.084911418 | + | EXACTMASS 470.084911418 |
− | AVERAGEMASS 470.38242 | + | AVERAGEMASS 470.38242 |
− | SMILES c(c1OC(C)=O)c(c(C(=O)2)c(OC(c(c3)ccc(OC(C)=O)c(O)3)=C2OC(C)=O)c1)OC(C)=O | + | SMILES c(c1OC(C)=O)c(c(C(=O)2)c(OC(c(c3)ccc(OC(C)=O)c(O)3)=C2OC(C)=O)c1)OC(C)=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/ 34 36 0 0 0 0 0 0 0 0999 V2000 -1.0764 -0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5016 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -0.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 0.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 2.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 2.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -0.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 2.4674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -1.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -1.2636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -2.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 1.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 0.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 0.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 1.2527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 2.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6371 2.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 3 12 2 0 0 0 0 7 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 17 2 0 0 0 0 17 7 1 0 0 0 0 11 23 1 0 0 0 0 9 27 1 0 0 0 0 4 18 1 0 0 0 0 18 21 1 0 0 0 0 15 19 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 14 31 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 S SKP 8 ID FL5FACNS0005 KNApSAcK_ID C00013546 NAME 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one CAS_RN 475107-94-9 FORMULA C23H18O11 EXACTMASS 470.084911418 AVERAGEMASS 470.38242 SMILES c(c1OC(C)=O)c(c(C(=O)2)c(OC(c(c3)ccc(OC(C)=O)c(O)3)=C2OC(C)=O)c1)OC(C)=O M END