Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	71941
Common Name:	Inulobiose
Systematic Name:	(2R,3S,4S,5R)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxymethyl]-5-methylol-tetrahydrofuran-2,3,4-triol
RefMet Name:	Inulobiose
Synonyms:	[PubChem Synonyms]
Exact Mass:	342.1160 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H22O11
InChIKey:	WOHYVFWWTVNXTP-SQOWBOMSSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:	C-glycosyl compounds [C0002204]
SMILES:	C([C@@H]1[C@H]([C@@H]([C@](CO[C@]2(CO)[C@@H]([C@H]([C@H](CO)O2)O)O)(O)O1)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	25201864
CHEBI ID:	16751
HMDB ID:	HMDB0029898
MetaCyc ID:	INULOBIOSE
EPA CompTox DB:	DTXCID90911191
Plant Metabolite Hub(Pmhub):	MS000017320

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y