Mol:FL7AAGGL0032
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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− | 87 82 1 0 0 0 0 | + | 87 82 1 0 0 0 0 |
− | 85 88 1 0 0 0 0 | + | 85 88 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7AAGGL0032 | + | ID FL7AAGGL0032 |
− | KNApSAcK_ID C00011103 | + | KNApSAcK_ID C00011103 |
− | NAME Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-beta-glucoside) | + | NAME Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-beta-glucoside) |
− | CAS_RN 395680-63-4 | + | CAS_RN 395680-63-4 |
− | FORMULA C57H63O31 | + | FORMULA C57H63O31 |
− | EXACTMASS 1243.335330298 | + | EXACTMASS 1243.335330298 |
− | AVERAGEMASS 1244.09152 | + | AVERAGEMASS 1244.09152 |
− | SMILES OC(C8COC(=O)C=Cc(c9)ccc(c9)O)C(O)C(C(O8)Oc(c1O)cc(c(c6OC(C(O)7)OC(CO)C(O)C7O)[o+1]c(c(c6)5)cc(cc5O)OC(O4)C(C(C(O)C4CO)O)O)cc(OC(O2)C(C(O)C(O)C2COC(=O)C=Cc(c3)ccc(c3)O)O)1)O | + | SMILES OC(C8COC(=O)C=Cc(c9)ccc(c9)O)C(O)C(C(O8)Oc(c1O)cc(c(c6OC(C(O)7)OC(CO)C(O)C7O)[o+1]c(c(c6)5)cc(cc5O)OC(O4)C(C(C(O)C4CO)O)O)cc(OC(O2)C(C(O)C(O)C2COC(=O)C=Cc(c3)ccc(c3)O)O)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
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1 0 0 0 0 37 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 49 48 1 1 0 0 0 49 50 1 0 0 0 0 50 45 1 0 0 0 0 45 51 1 0 0 0 0 50 52 1 0 0 0 0 49 53 1 0 0 0 0 48 54 1 0 0 0 0 54 55 1 0 0 0 0 21 46 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 1 0 0 0 59 58 1 1 0 0 0 60 59 1 1 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 56 62 1 0 0 0 0 61 63 1 0 0 0 0 60 64 1 0 0 0 0 59 65 1 0 0 0 0 65 66 1 0 0 0 0 22 57 1 0 0 0 0 55 67 1 0 0 0 0 67 68 2 0 0 0 0 67 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 75 1 0 0 0 0 75 76 2 0 0 0 0 76 71 1 0 0 0 0 74 77 1 0 0 0 0 66 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 83 84 1 0 0 0 0 84 85 2 0 0 0 0 85 86 1 0 0 0 0 86 87 2 0 0 0 0 87 82 1 0 0 0 0 85 88 1 0 0 0 0 S SKP 8 ID FL7AAGGL0032 KNApSAcK_ID C00011103 NAME Delphinidin 3,7-diglucoside-3',5'-di(6-O-p-coumaroyl-beta-glucoside) CAS_RN 395680-63-4 FORMULA C57H63O31 EXACTMASS 1243.335330298 AVERAGEMASS 1244.09152 SMILES OC(C8COC(=O)C=Cc(c9)ccc(c9)O)C(O)C(C(O8)Oc(c1O)cc(c(c6OC(C(O)7)OC(CO)C(O)C7O)[o+1]c(c(c6)5)cc(cc5O)OC(O4)C(C(C(O)C4CO)O)O)cc(OC(O2)C(C(O)C(O)C2COC(=O)C=Cc(c3)ccc(c3)O)O)1)O M END