Dataset

Flavone base + 3O, 2MeO, O-guaiacylglycerol

This MassBank record with Accession MSBNK-RIKEN-PR310962 contains the MS2 mass spectrum of Flavone base + 3O, 2MeO, O-guaiacylglycerol with the InChIkey WXNJNHFYIWEHIL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3
SMILES O=C1C=C(OC2=CC(O)=CC(O)=C12)C=4C=C(OC)C(OC(CO)C(O)C=3C=CC(O)=C(OC)C=3)=C(OC)C=4
InChI Key WXNJNHFYIWEHIL-UHFFFAOYSA-N
Molecular Formula C27H26O11
Exact Mass 526.494 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-PR310962
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:32:15.869100
MetadataModified 2025-02-09T18:35:13.080516
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
181838 ChEBI
J3.397.418C Nikkaji
21159153 PubChem
2588 NMRShiftDB
The data in this table is sourced from UniChem at EBI.