Mol:FL7AACGL0081
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 77 78 | + | M SAL 1 2 77 78 |
− | M SBL 1 1 84 | + | M SBL 1 1 84 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 84 -5.5787 5.2556 | + | M SBV 1 84 -5.5787 5.2556 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7AACGL0081 | + | ID FL7AACGL0081 |
− | KNApSAcK_ID C00006857 | + | KNApSAcK_ID C00006857 |
− | NAME Gentiocyanin B;Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside) | + | NAME Gentiocyanin B;Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside) |
− | CAS_RN 170663-60-2 | + | CAS_RN 170663-60-2 |
− | FORMULA C51H53O27 | + | FORMULA C51H53O27 |
− | EXACTMASS 1097.27742149 | + | EXACTMASS 1097.27742149 |
− | AVERAGEMASS 1097.95032 | + | AVERAGEMASS 1097.95032 |
− | SMILES Oc(c1)c(O)ccc(C=CC(OCC(O2)C(C(O)C(O)C2Oc(c3)c(ccc(c([o+1]4)c(OC(C(O)8)OC(CO)C(O)C(O)8)cc(c(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c7O)=O)C(C6O)O)5)c4cc(c5)O)3)O)O)=O)1 | + | SMILES Oc(c1)c(O)ccc(C=CC(OCC(O2)C(C(O)C(O)C2Oc(c3)c(ccc(c([o+1]4)c(OC(C(O)8)OC(CO)C(O)C(O)8)cc(c(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c7O)=O)C(C6O)O)5)c4cc(c5)O)3)O)O)=O)1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
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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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 20 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 31 51 1 0 0 0 0 47 52 1 0 0 0 0 52 51 1 0 0 0 0 45 19 1 0 0 0 0 39 53 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 54 1 0 0 0 0 54 60 1 0 0 0 0 55 61 1 0 0 0 0 56 62 1 0 0 0 0 57 21 1 0 0 0 0 59 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 69 1 0 0 0 0 72 75 1 0 0 0 0 71 76 1 0 0 0 0 25 77 1 0 0 0 0 77 78 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 77 78 M SBL 1 1 84 M SMT 1 CH2OH M SBV 1 84 -5.5787 5.2556 S SKP 8 ID FL7AACGL0081 KNApSAcK_ID C00006857 NAME Gentiocyanin B;Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside) CAS_RN 170663-60-2 FORMULA C51H53O27 EXACTMASS 1097.27742149 AVERAGEMASS 1097.95032 SMILES Oc(c1)c(O)ccc(C=CC(OCC(O2)C(C(O)C(O)C2Oc(c3)c(ccc(c([o+1]4)c(OC(C(O)8)OC(CO)C(O)C(O)8)cc(c(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c7O)=O)C(C6O)O)5)c4cc(c5)O)3)O)O)=O)1 M END