Mol:FL6DAGGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
0.0127 1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0127 1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2379 1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7940 2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3610 1.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9280 2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.3610 3.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7940 2.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5421 2.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.3138 -3.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3138 -1.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3138 -3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4196 -3.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL6DAGGS0004
KNApSAcK_ID C00009023
NAME Leucodelphinidin 4-O-[2,4-bisgalloyl-6-(3-galloylgalloyl)-beta-D-glucopyranoside]
CAS_RN 90538-78-6
FORMULA C49H40O29
EXACTMASS 1092.165525318
AVERAGEMASS 1092.8245
SMILES c(c1O)(O)cc(C(OC(C(COC(c(c7)cc(c(O)c7OC(=O)c(c8)cc(O)c(O)c(O)8)O)=O)2)C(C(OC(c(c6)cc(c(O)c6O)O)=O)C(OC(C(O)3)c(c5O)c(cc(c5)O)OC3c(c4)cc(O)c(c4O)O)O2)O)=O)cc1O
M END
