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
162933 PubChem
61135-91-9 ACToR
60029012 NMRShiftDB
J346.404K Nikkaji
91334 Brenda
19832 Brenda
15648 Rhea
19125 Brenda
ZINC000000902004 ZINC
DTXSID80210024 EPA CompTox Dashboard
50317431 BindingDB
CHEMBL1098413 ChEMBL
C04271 KEGG Ligand
15648 ChEBI
The data in this table is sourced from UniChem at EBI.