Dataset

Flavonol base + 3O, O-Hex-Hex, O-Hex-Hex-Feruloyl

This MassBank record with Accession MSBNK-RIKEN-PR310940 contains the MS2 mass spectrum of Flavonol base + 3O, O-Hex-Hex, O-Hex-Hex-Feruloyl with the InChIkey KFEVJAZSURUKLX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3
SMILES O=C(OC1C(OC(CO)C(O)C1(O))OC7C(OC=5C(=O)C6=C(O)C=C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2(O))C(O)C3(O))C=C6(OC=5(C4=CC=C(O)C=C4)))OC(CO)C(O)C7(O))C=CC=8C=CC(O)=C(OC)C=8
InChI Key KFEVJAZSURUKLX-UHFFFAOYSA-N
Molecular Formula C49H58O29
Exact Mass 1110.974 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-PR310940
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:34:57.582270
MetadataModified 2025-02-09T18:38:14.546306
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
145994463 PubChem
The data in this table is sourced from UniChem at EBI.