Dataset

Enterodiol

This MassBank record with Accession MSBNK-RIKEN-PR307899 contains the MS2 mass spectrum of Enterodiol with the InChIkey DWONJCNDULPHLV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2
SMILES OCC(CC1=CC(O)=CC=C1)C(CO)CC1=CC(O)=CC=C1
InChI Key DWONJCNDULPHLV-UHFFFAOYSA-N
Molecular Formula C18H22O4
Exact Mass 302.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307899
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:08.693842
MetadataModified 2024-01-11T20:43:08.852808
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J38.980C Nikkaji
SCHEMBL2641390 SureChEMBL
HMDB0245380 Human Metabolome Database
509369 eMolecules
123725 PubChem
14998829 PubChem: Thomson Pharma
6687-25-8 ACToR
76543-16-3 ACToR
182489 ChEBI
The data in this table is sourced from UniChem at EBI.