Dataset

Demethyl medicarpin

This MassBank record with Accession MSBNK-BS-BS003347 contains the MS2 mass spectrum of Demethyl medicarpin with the InChIkey ODMIEGVTNZNSLD-WFASDCNBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H2/t12-,15-/m0/s1
SMILES C1(C2(C(C3=C(O1)C(=C(C(=C3[H])[H])O[H])[H])(OC4=C2C(=C(C(=C4[H])O[H])[H])[H])[H])[H])([H])[H]
InChI Key ODMIEGVTNZNSLD-WFASDCNBSA-N
Molecular Formula C15H12O4
Exact Mass 256.074 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-BS-BS003347
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:24.726682
MetadataModified 2024-01-11T12:36:24.890737
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000902004 ZINC
DTXSID80210024 EPA CompTox Dashboard
J346.404K Nikkaji
50317431 BindingDB
162933 PubChem
61135-91-9 ACToR
60029012 NMRShiftDB
19832 Brenda
91334 Brenda
15648 Rhea
MolPort-023-298-970 MolPort
19125 Brenda
CHEMBL1098413 ChEMBL
15648 ChEBI
C04271 KEGG Ligand
The data in this table is sourced from UniChem at EBI.