Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H29NO6S/c1-30-22-14-20(15-23(31-2)27(22)34-5)29(19-11-9-18(10-12-19)26-8-7-13-36-26)21-16-24(32-3)28(35-6)25(17-21)33-4/h7-17H,1-6H3
SMILES	COc1cc(cc(c1OC)OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)c1cccs1
InChI Key	BHUWFGGHQFTFIX-UHFFFAOYSA-N
Molecular Formula	C28H29NO6S
Exact Mass	507.598 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BHUWFGGHQFTFIX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BHUWFGGHQFTFIX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:54:11.403748
MetadataModified	2024-09-08T01:54:11.403753
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169408874	PubChem
The data in this table is sourced from UniChem at EBI.