Mol:FL1CBAGS0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 46 0 0 0 0 0 0 0 0999 V2000 | + | 43 46 0 0 0 0 0 0 0 0999 V2000 |
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− | 4.3240 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3240 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8353 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8353 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0648 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0648 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8443 2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8443 2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
− | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
− | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
− | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
− | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
− | 29 23 1 0 0 0 0 | + | 29 23 1 0 0 0 0 |
− | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
− | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 28 20 1 0 0 0 0 | + | 28 20 1 0 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
− | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
− | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
− | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
− | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
− | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CBAGS0004 | + | ID FL1CBAGS0004 |
− | KNApSAcK_ID C00014506 | + | KNApSAcK_ID C00014506 |
− | NAME Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside | + | NAME Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside |
− | CAS_RN 203193-16-2 | + | CAS_RN 203193-16-2 |
− | FORMULA C28H34O15 | + | FORMULA C28H34O15 |
− | EXACTMASS 610.189770418 | + | EXACTMASS 610.189770418 |
− | AVERAGEMASS 610.56056 | + | AVERAGEMASS 610.56056 |
− | SMILES O(C(Oc(c2)cc(OC)c(C(=O)C=Cc(c3)ccc(OC(O4)C(O)C(C(O)C4CO)O)c3)c(O)2)1)C(CO)C(O)C(C1O)O | + | SMILES O(C(Oc(c2)cc(OC)c(C(=O)C=Cc(c3)ccc(OC(O4)C(O)C(C(O)C4CO)O)c3)c(O)2)1)C(CO)C(O)C(C1O)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/ 43 46 0 0 0 0 0 0 0 0999 V2000 -1.2366 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 -1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 -1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 -0.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 -0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -2.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4347 0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4257 1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 0.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 -0.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -2.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9233 -0.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 0.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 -0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 2.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 1.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 2.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 1.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 1.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 2.9348 0.0000 O 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 3 27 1 0 0 0 0 1 28 1 0 0 0 0 29 23 1 0 0 0 0 13 30 1 0 0 0 0 5 31 1 0 0 0 0 31 32 1 0 0 0 0 28 20 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 43 39 1 0 0 0 0 30 36 1 0 0 0 0 S SKP 8 ID FL1CBAGS0004 KNApSAcK_ID C00014506 NAME Helichrysetin 4,4'-di-O-alpha-glucoside;4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-O-alpha-glucoside CAS_RN 203193-16-2 FORMULA C28H34O15 EXACTMASS 610.189770418 AVERAGEMASS 610.56056 SMILES O(C(Oc(c2)cc(OC)c(C(=O)C=Cc(c3)ccc(OC(O4)C(O)C(C(O)C4CO)O)c3)c(O)2)1)C(CO)C(O)C(C1O)O M END