Dataset

Arctiin

This MassBank record with Accession MSBNK-RIKEN-PR308022 contains the MS2 mass spectrum of Arctiin with the InChIkey XOJVHLIYNSOZOO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3
SMILES COC1=C(OC)C=C(CC2COC(=O)C2CC2=CC(OC)=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C=C1
InChI Key XOJVHLIYNSOZOO-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-PR308022
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:38:29.649481
MetadataModified 2024-01-11T20:38:29.793677
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0248568 Human Metabolome Database
PD056214 ProbesDrugs
70092446 NMRShiftDB
3660596 PubChem
The data in this table is sourced from UniChem at EBI.