Dataset

Thermopsoside, crotonoyl

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82258 contains the MS mass spectrum of Thermopsoside, crotonoyl with the InChIkey OAZSPRBLFZZMMR-ONEGZZNKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H26O12/c1-3-4-21(30)35-11-20-23(31)24(32)25(33)26(38-20)36-13-8-15(28)22-16(29)10-17(37-19(22)9-13)12-5-6-14(27)18(7-12)34-2/h3-10,20,23-28,31-33H,11H2,1-2H3/b4-3+
SMILES C/C=C/C(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O)O
InChI Key OAZSPRBLFZZMMR-ONEGZZNKSA-N
Molecular Formula C26H26O12
Exact Mass 530.142 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-BML82258
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:47.743169
MetadataModified 2024-01-11T22:23:47.910936
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24208689 PubChem
181465 ChEBI
26811635 eMolecules
The data in this table is sourced from UniChem at EBI.