Dataset

Isoflavone base + 1O, 2MeO, O-Hex

Chemical Info

InChI	InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3
SMILES	O=C2C(=COC3=CC(OC1OC(CO)C(O)C(O)C1(O))=C(OC)C=C23)C4=CC=C(OC)C=C4
InChI Key	YLYJXNTZVUEFJZ-UHFFFAOYSA-N
Molecular Formula	C23H24O10
Exact Mass	460.435 g/mol

Data and Resources

• Isoflavone base + 1O, 2MeO, O-HexHTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310955
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:38:42.859553
MetadataModified	2025-02-09T18:05:41.840141
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12444947	PubChem
HMDB0030869	Human Metabolome Database
31261942	eMolecules
60075491	NMRShiftDB
The data in this table is sourced from UniChem at EBI.