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PHOMOSINE-D
SpectraBase Compound ID 25XHjTP3XSF
InChI InChI=1S/C18H20O7/c1-8-5-12(20)11(7-19)13(6-8)25-17-9(2)14(18(23)24-4)15(21)10(3)16(17)22/h5-6,19-22H,7H2,1-4H3
InChIKey YXFYVKDXNWPWNE-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C18H20O7
Exact Mass 348.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNdBgR7xsV0
Name Methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoate
Alternate Name(s) 2,4-Dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoic acid methyl ester Methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methyl-phenoxy]-3,6-dimethyl-benzoate Methyl 3-[2-(hydroxymethyl)-5-methyl-3-oxidanyl-phenoxy]-2,5-dimethyl-4,6-bis(oxidanyl)benzoate
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Formula C18H20O7
InChI InChI=1S/C18H20O7/c1-8-5-12(20)11(7-19)13(6-8)25-17-9(2)14(18(23)24-4)15(21)10(3)16(17)22/h5-6,19-22H,7H2,1-4H3
InChIKey YXFYVKDXNWPWNE-UHFFFAOYSA-N
Molecular Weight 348.351 g/mol
SMILES Oc1cc(cc(c1CO)Oc1c(c(c(c(C)c1O)O)C(=O)OC)C)C
SPLASH splash10-000t-1249000000-bcf5fcb12b3f957b9ea2
Source of Spectrum H-2005-5104-4
Wiley ID 1588115