Dataset

12:4+4O fatty acyl hexoside

Chemical Info

InChI	InChI=1S/C18H28O10/c1-9(11(20)7-13(21)22)5-3-4-6-10(2)17(26)28-18-16(25)15(24)14(23)12(8-19)27-18/h3-4,6,9,11-12,14-16,18-20,23-25H,5,7-8H2,1-2H3,(H,21,22)
SMILES	O=C(O)CC(O)C(C)CC=CC=C(C(=O)OC1OC(CO)C(O)C(O)C1(O))C
InChI Key	JWAGJGCOOSEMAU-UHFFFAOYSA-N
Molecular Formula	C18H28O10
Exact Mass	404.412 g/mol

Data and Resources

• 12:4+4O fatty acyl hexosideHTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309338
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:25:15.937523
MetadataModified	2025-02-09T18:25:32.078252
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145994459	PubChem
The data in this table is sourced from UniChem at EBI.