Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67659
Common Name:	Dihydroconiferyl alcohol
Systematic Name:	4-(3-hydroxypropyl)-2-methoxy-phenol
Synonyms:	3-(4-HYDROXY-3-METHOXYPHENYL)-1-PROPANOL; 1-Propanol, 3-(4-hydroxy-3-methoxyphenyl); 4-(3-hydroxypropyl)-2-methoxyphenol; 1-Propanol, 3-(4-hydroxy-3-methoxyphenyl)- [PubChem Synonyms]
Exact Mass:	182.0943 (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:	C10H14O3
InChIKey:	MWOMNLDJNQWJMK-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Phenols [C0000134]
ClassyFire subclass:	Methoxyphenols [C0000190]
ClassyFire direct parent:	Methoxyphenols [C0000190]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	COc1cc(CCCO)ccc1O
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	16822
HMDB ID:	HMDB0303757
BMRB ID:	bmse000585
MetaCyc ID:	CPD-94
NP-MRD ID(NMR):	NP0002803
Plant Metabolite Hub(Pmhub):	MS000021644

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