Dataset

Andrographolide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80746 contains the MS mass spectrum of Andrographolide with the InChIkey BOJKULTULYSRAS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3
SMILES CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O
InChI Key BOJKULTULYSRAS-UHFFFAOYSA-N
Molecular Formula C20H30O5
Exact Mass 350.209 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-BML80746
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:17:18.474003
MetadataModified 2025-02-09T20:03:26.398111
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
343585 PubChem
29913822 eMolecules
MCULE-4379391397 Mcule
PD056313 ProbesDrugs
ZZZLUK CCDC
HMDB0248395 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.