YAC_3D (Compound 21) Tephrowatsin A.tocsy

A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.

InChI	InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3
SMILES	COC1=CC(OC)=C2C(=C1CC=C(C)C)OC(C1=CC=CC=C1)CC2O
InChI Key	ADIMMCHZVYYGPW-UHFFFAOYSA-N
Molecular Formula	C22H26O4
Exact Mass	354.400 g/mol

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