Dataset

3',4',7-Trihydroxyisoflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003735 contains the MS2 mass spectrum of 3',4',7-Trihydroxyisoflavone with the InChIkey DDKGKOOLFLYZDL-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
SMILES	C1(=C(C(=C(C(=C1C2=C(OC3=C(C2=O)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])O[H])O[H])[H])[H]
InChI Key	DDKGKOOLFLYZDL-UHFFFAOYSA-N
Molecular Formula	C15H10O5
Exact Mass	270.053 g/mol

Data and Resources

3',4',7-TrihydroxyisoflavoneHTML

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Related Molecule ⌄

3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one

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-BS003735
Version
Author
Maintainer
Language
MetadataPublished	2017-12-01
Related Molecule	3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LMPK12050055	lipidmaps
47X	rcsb_pdb
CHEMBL13486	chembl
29392289	surechembl
29482679	surechembl
29482686	surechembl
73012	surechembl
5284648	pubchem
T08Y239E7Y	fdasrs
9985	gtopdb
PD057176	probes_and_drugs
225164	brenda
23230	brenda
56865	brenda
57807	brenda
78348	brenda
HMDB0041655	hmdb
Molport-003-850-715	molport
50095997	bindingdb
The data in this table is sourced from UniChem at EBI.