Dataset

Trifolirhizin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82282 contains the MS mass spectrum of Trifolirhizin with the InChIkey VGSYCWGXBYZLLE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2
SMILES C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
InChI Key VGSYCWGXBYZLLE-UHFFFAOYSA-N
Molecular Formula C22H22O10
Exact Mass 446.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82282
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:15.391759
MetadataModified 2024-01-11T22:24:15.537392
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4485132 PubChem
MCULE-7217801825 Mcule
HMDB0036630 Human Metabolome Database
PD087565 ProbesDrugs
60075500 NMRShiftDB
The data in this table is sourced from UniChem at EBI.