Dataset

Flavone base + 3O, 2MeO, O-guaiacylglyceryl-Hex

This MassBank record with Accession MSBNK-RIKEN-PR310971 contains the MS2 mass spectrum of Flavone base + 3O, 2MeO, O-guaiacylglyceryl-Hex with the InChIkey WTKUHKWWAMSHEE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C33H36O16/c1-43-21-6-14(4-5-17(21)36)28(39)26(13-46-33-31(42)30(41)29(40)25(12-34)49-33)48-32-23(44-2)7-15(8-24(32)45-3)20-11-19(38)27-18(37)9-16(35)10-22(27)47-20/h4-11,25-26,28-31,33-37,39-42H,12-13H2,1-3H3
SMILES O=C1C=C(OC2=CC(O)=CC(O)=C12)C=5C=C(OC)C(OC(COC3OC(CO)C(O)C(O)C3(O))C(O)C=4C=CC(O)=C(OC)C=4)=C(OC)C=5
InChI Key WTKUHKWWAMSHEE-UHFFFAOYSA-N
Molecular Formula C33H36O16
Exact Mass 688.635 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-PR310971
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:25:12.555002
MetadataModified 2025-02-09T18:31:29.478136
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77136544 PubChem
The data in this table is sourced from UniChem at EBI.