Mol:FL7AAAGL0061
From Metabolomics.JP
(Difference between revisions)
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| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 54 62 1 0 0 0 0 | + | 54 62 1 0 0 0 0 |
| − | 55 63 1 0 0 0 0 | + | 55 63 1 0 0 0 0 |
| − | 56 64 1 0 0 0 0 | + | 56 64 1 0 0 0 0 |
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| − | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
| − | 65 66 2 0 0 0 0 | + | 65 66 2 0 0 0 0 |
| − | 65 67 1 0 0 0 0 | + | 65 67 1 0 0 0 0 |
| − | 67 68 2 0 0 0 0 | + | 67 68 2 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 69 70 2 0 0 0 0 | + | 69 70 2 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 72 2 0 0 0 0 | + | 71 72 2 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 74 69 1 0 0 0 0 | + | 74 69 1 0 0 0 0 |
| − | 72 75 1 0 0 0 0 | + | 72 75 1 0 0 0 0 |
| − | 71 76 1 0 0 0 0 | + | 71 76 1 0 0 0 0 |
| − | 61 65 1 0 0 0 0 | + | 61 65 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGL0061 | + | ID FL7AAAGL0061 |
| − | KNApSAcK_ID C00014837 | + | KNApSAcK_ID C00014837 |
| − | NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-p-coumarylglucoside)-5-glucoside | + | NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-p-coumarylglucoside)-5-glucoside |
| − | CAS_RN 448963-06-2 | + | CAS_RN 448963-06-2 |
| − | FORMULA C51H53O25 | + | FORMULA C51H53O25 |
| − | EXACTMASS 1065.287592246 | + | EXACTMASS 1065.287592246 |
| − | AVERAGEMASS 1065.95152 | + | AVERAGEMASS 1065.95152 |
| − | SMILES C(C8O)(O)C(OC(C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)OC(C6O)C(OC(C6O)COC(=O)C=Cc(c5)ccc(O)c5)Oc(c3c(c4)ccc(c4)O)cc(c([o+1]3)1)c(OC(O2)C(O)C(C(O)C2CO)O)cc(O)c1 | + | SMILES C(C8O)(O)C(OC(C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)OC(C6O)C(OC(C6O)COC(=O)C=Cc(c5)ccc(O)c5)Oc(c3c(c4)ccc(c4)O)cc(c([o+1]3)1)c(OC(O2)C(O)C(C(O)C2CO)O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
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1.4920 2.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9830 3.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6975 3.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0061
KNApSAcK_ID C00014837
NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-p-coumarylglucoside)-5-glucoside
CAS_RN 448963-06-2
FORMULA C51H53O25
EXACTMASS 1065.287592246
AVERAGEMASS 1065.95152
SMILES C(C8O)(O)C(OC(C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)OC(C6O)C(OC(C6O)COC(=O)C=Cc(c5)ccc(O)c5)Oc(c3c(c4)ccc(c4)O)cc(c([o+1]3)1)c(OC(O2)C(O)C(C(O)C2CO)O)cc(O)c1
M END
