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Tabaisocoumarin C

CAS Number: 1887210-64-1

IUPAC name: 3,5-bis(hydroxymethyl)-6-methoxyisochromen-1-one

Molecular formula: C12H12O5

Molecular weight: 236.22

InChI: InChI=1S/C12H12O5/c1-16-11-3-2-8-9(10(11)6-14)4-7(5-13)17-12(8)15/h2-4,13-14H,5-6H2,1H3

InChIKey: NPYUKZGDVUTJNI-UHFFFAOYSA-N

SMILES: COC1=C(C2=C(C=C1)C(=O)OC(=C2)CO)CO

EINECS: -

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