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4-ACETYL-3,3',4'-TRI-O-METHYLELLAGIC_ACID
SpectraBase Compound ID DAfSmKVsqLt
InChI InChI=1S/C19H14O9/c1-7(20)26-11-6-9-13-12-8(18(21)28-17(13)15(11)25-4)5-10(23-2)14(24-3)16(12)27-19(9)22/h5-6H,1-4H3
InChIKey ZRKRZFLGKNRPGX-UHFFFAOYSA-N
Mol Weight 386.31 g/mol
Molecular Formula C19H14O9
Exact Mass 386.063782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0ynVAMjSzJ
Name 4-O-Acetyl-3,3',4'-tri-O-methylellagic acid
Alternate Name(s) 3,7,8-trimethoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O9
InChI InChI=1S/C19H14O9/c1-7(20)26-11-6-9-13-12-8(18(21)28-17(13)15(11)25-4)5-10(23-2)14(24-3)16(12)27-19(9)22/h5-6H,1-4H3
InChIKey ZRKRZFLGKNRPGX-UHFFFAOYSA-N
Molecular Weight 386.312 g/mol
SMILES c12-c3c4c(OC)c(cc3C(Oc1c(OC)c(cc2C(O4)=O)OC)=O)OC(=O)C
SPLASH splash10-0006-0209000000-8a1ee528e64c2da20a2c
Source of Spectrum Y1-37-1318-2
Wiley ID 1527575