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Decarboxy-hypothamnolic acid
SpectraBase Compound ID 9RAvRAd9oyB
InChI InChI=1S/C18H18O8/c1-7-6-11(25-4)13(17(22)23)15(21)12(7)18(24)26-16-8(2)5-10(19)9(3)14(16)20/h5-6,19-21H,1-4H3,(H,22,23)
InChIKey WSTILCLQPLCYEH-UHFFFAOYSA-N
Mol Weight 362.33 g/mol
Molecular Formula C18H18O8
Exact Mass 362.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79nDAuNVci4
Name Decarboxy-hypothamnolic acid
Alternate Name(s) 3-[(2,4-dihydroxy-3,6-dimethylphenoxy)-oxomethyl]-2-hydroxy-6-methoxy-4-methylbenzoic acid 3-[2',4'-Dihydroxy-3',6'-(dimethylphenoxy)carbonyl]-2-hydroxy-6-methoxy-4-methylbenzoic acid 3-(2,4-dihydroxy-3,6-dimethylphenoxy)carbonyl-2-hydroxy-6-methoxy-4-methylbenzoic acid 3-[3,6-dimethyl-2,4-bis(oxidanyl)phenoxy]carbonyl-6-methoxy-4-methyl-2-oxidanyl-benzoic acid
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Formula C18H18O8
InChI InChI=1S/C18H18O8/c1-7-6-11(25-4)13(17(22)23)15(21)12(7)18(24)26-16-8(2)5-10(19)9(3)14(16)20/h5-6,19-21H,1-4H3,(H,22,23)
InChIKey WSTILCLQPLCYEH-UHFFFAOYSA-N
Molecular Weight 362.334 g/mol
SMILES Oc1c(c(c(OC(c2c(cc(c(c2O)C(=O)O)OC)C)=O)c(c1)C)O)C
SPLASH splash10-0006-0900000000-946b47d7a999cfa8bf43
Source of Spectrum B-52-839-4
Wiley ID 810845