Dataset

YAC_1B (Compound 6) Tephrowatsin B.

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

Chemical Info

molecular Image
InChI InChI=1S/C22H24O3/c1-15(2)10-11-17-20(23-3)14-21(24-4)18-12-13-19(25-22(17)18)16-8-6-5-7-9-16/h5-10,12-14,19H,11H2,1-4H3/t19-/m0/s1
SMILES COC1=CC(OC)=C(CC=C(C)C)C2=C1C=C[C@@H](C1=CC=CC=C1)O2
InChI Key GTWNOIJIMUFLGQ-IBGZPJMESA-N
Molecular Formula C22H24O3
Exact Mass 336.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p62.s437.d2255
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D2255
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 2024-05-15T08:39:43.975833
MetadataModified 2024-09-23T09:37:31.165655
MetadataPublished 2024-03-05 20:39:34
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
187526 ChEBI
44257205 PubChem
60069175 NMRShiftDB
LMPK12020283 LipidMaps
ZINC000015115121 ZINC
The data in this table is sourced from UniChem at EBI.