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THAMNOLINSAEURE
SpectraBase Compound ID 3V0njbRi4nk
InChI InChI=1S/C19H16O11/c1-6-4-9(29-3)12(18(26)27)15(23)10(6)19(28)30-16-7(2)11(17(24)25)13(21)8(5-20)14(16)22/h4-5,21-23H,1-3H3,(H,24,25)(H,26,27)
InChIKey RNCJCRJLNVRWJX-UHFFFAOYSA-N
Mol Weight 420.33 g/mol
Molecular Formula C19H16O11
Exact Mass 420.069261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3k8hvvH1Ii
Name 3-(3-carboxy-4-methoxy-6-methyl-2-oxidanyl-phenyl)carbonyloxy-5-methanoyl-2-methyl-4,6-bis(oxidanyl)benzoic acid
CAS Registry Number 484-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O11
InChI InChI=1S/C19H16O11/c1-6-4-9(29-3)12(18(26)27)15(23)10(6)19(28)30-16-7(2)11(17(24)25)13(21)8(5-20)14(16)22/h4-5,21-23H,1-3H3,(H,24,25)(H,26,27)
InChIKey RNCJCRJLNVRWJX-UHFFFAOYSA-N
Molecular Weight 420.326 g/mol
SMILES OC(c1c(c(c(cc1OC)C)C(Oc1c(c(c(c(C=O)c1O)O)C(=O)O)C)=O)O)=O
SPLASH splash10-014l-3900000000-f331ae7b63fa7309a5e5
Source of Spectrum B-28-2041-0
Synonyms 5-(3-carboxy-2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-3-formyl-2,4-dihydroxy-6-methyl-benzoic acid 5-[(3-carboxy-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-3-formyl-2,4-dihydroxy-6-methylbenzoic acid
Wiley ID 1377806