3-methylbutanoic acid; 2-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pyran-4-one

Systemtic Name: 3-methylbutanoic acid; 2-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pyran-4-one Openeye Name: 3-methylbutanoic acid; 2-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-pyran-4-one CAS Name: 3-methylbutanoic acid; 2-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-4-pyranone IUPAC Name: 3-methylbutanoic acid; 2-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxypyran-4-one Traditional Name: 3-methylbutyric acid; 2-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-pyran-4-one Formula: C17H26O9 MolecularWeight: 374.38294

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C(OC=CC2=O)C)O)O)O.CC(C)CC(=O)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2=C(OC=CC2=O)C)O)O)O.CC(C)CC(=O)O

InChI

InChI=1S/C12H16O7.C5H10O2/c1-5-8(14)9(15)10(16)12(18-5)19-11-6(2)17-4-3-7(11)13;1-4(2)3-5(6)7/h3-5,8-10,12,14-16H,1-2H3;4H,3H2,1-2H3,(H,6,7)