Dataset

YAC_1R (Compound 9) Quercetol B.

A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.

Chemical Info

molecular Image
InChI InChI=1S/C23H28O4/c1-15(2)11-12-17-19(24-3)14-21(26-5)22-20(25-4)13-18(27-23(17)22)16-9-7-6-8-10-16/h6-11,14,18,20H,12-13H2,1-5H3
SMILES COC1=CC(OC)=C2C(=C1CC=C(C)C)OC(C1=CC=CC=C1)CC2OC
InChI Key QYAYIWOQUZDATC-UHFFFAOYSA-N
Molecular Formula C23H28O4
Exact Mass 368.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p62.s425.d2149
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D2149
Version
Author Atilaw Y, Muiva-Mutisya L, Bogaerts J, Duffy S, Valkonen A, Heydenreich M, Avery VM, Rissanen K, Erdélyi M, Yenesew A.
Maintainer
Language english
MetadataCreated 2024-05-15T08:43:21.496057
MetadataModified 2024-09-23T09:37:33.212288
MetadataPublished 2024-03-05 20:39:34
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
74135948 PubChem
The data in this table is sourced from UniChem at EBI.