3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid, 5me derivative

SpectraBase Compound ID	1OB0UiGVT6y
InChI	InChI=1S/C20H30O8/c1-22-12-15-17(24-3)18(25-4)19(26-5)20(28-15)27-14-9-6-13(7-10-14)8-11-16(21)23-2/h6-7,9-10,15,17-20H,8,11-12H2,1-5H3/t15-,17-,18+,19-,20-/m1/s1
InChIKey	PINWLERGUIBCCM-XIKSMUEASA-N Google Search
Mol Weight	398.45 g/mol
Molecular Formula	C20H30O8
Exact Mass	398.194068 g/mol

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SpectraBase Spectrum ID	6hi8skJAd7P
Name	3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid, 5me derivative
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	398.194067918 u
Formula	C20H30O8
InChI	InChI=1S/C20H30O8/c1-22-12-15-17(24-3)18(25-4)19(26-5)20(28-15)27-14-9-6-13(7-10-14)8-11-16(21)23-2/h6-7,9-10,15,17-20H,8,11-12H2,1-5H3/t15-,17-,18+,19-,20-/m1/s1
InChIKey	PINWLERGUIBCCM-XIKSMUEASA-N
Molecular Weight	398.452 g/mol
SMILES	C1=C(C=CC(=C1)CCC(OC)=O)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H]