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Phyllamyricin A
SpectraBase Compound ID 4UREA8fUHct
InChI InChI=1S/C22H18O7/c1-24-18-8-12-13(20(25-2)21(18)26-3)7-14-15(9-27-22(14)23)19(12)11-4-5-16-17(6-11)29-10-28-16/h4-8H,9-10H2,1-3H3
InChIKey KMCZAUWPWXJBQG-UHFFFAOYSA-N
Mol Weight 394.38 g/mol
Molecular Formula C22H18O7
Exact Mass 394.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2srD8IYuwGY
Name Phyllamyricin A
Alternate Name(s) 3-(Hydroxymethyl)-6,7,8-trimethoxy-4-[3',4'-(methylenedioxy)phenyl]-2-naphthoic Acid-.gamma.-Lactone
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Formula C22H18O7
InChI InChI=1S/C22H18O7/c1-24-18-8-12-13(20(25-2)21(18)26-3)7-14-15(9-27-22(14)23)19(12)11-4-5-16-17(6-11)29-10-28-16/h4-8H,9-10H2,1-3H3
InChIKey KMCZAUWPWXJBQG-UHFFFAOYSA-N
Molecular Weight 394.379 g/mol
SMILES c12c(c3cc(OC)c(c(c3cc2C(=O)OC1)OC)OC)-c1cc2OCOc2cc1
SPLASH splash10-0006-0009000000-06805cfb15be7962d547
Source of Spectrum X2-58-248-1
Wiley ID 1605850