Dataset

Phillyrin

This MassBank record with Accession MSBNK-RIKEN-PR308037 contains the MS2 mass spectrum of Phillyrin with the InChIkey KFFCKOBAHMGTMW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3
SMILES COC1=C(OC)C=C(C=C1)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1
InChI Key KFFCKOBAHMGTMW-UHFFFAOYSA-N
Molecular Formula C27H34O11
Exact Mass 534.558 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-PR308037
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:01.918219
MetadataModified 2024-01-11T20:40:02.080029
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12314162 PubChem
SCHEMBL5074776 SureChEMBL
70076241 NMRShiftDB
PD117856 ProbesDrugs
The data in this table is sourced from UniChem at EBI.