Mol:FL7AAGGL0066
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
81 88 0 0 0 0 0 0 0 0999 V2000
-1.0555 2.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8023 2.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5789 2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2934 2.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2934 4.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5789 3.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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68 40 1 0 0 0 0
S SKP 8
ID FL7AAGGL0066
KNApSAcK_ID C00014817
NAME Delphinidin 3-(diferuloyl)sophoroside-5-glucoside
CAS_RN 379232-06-1
FORMULA C53H57O28
EXACTMASS 1141.30363624
AVERAGEMASS 1142.00288
SMILES Oc(c1)cc(OC(O8)C(C(O)C(O)C8CO)O)c(c3)c1[o+1]c(c3OC(O4)C(OC(O6)C(C(C(C6COC(=O)C=Cc(c7)cc(c(O)c7)OC)O)O)O)C(O)C(O)C4COC(=O)C=Cc(c5)ccc(O)c5OC)c(c2)cc(c(O)c2O)O
M END
