Dataset

additional

Chemical Info

InChI	InChI=1S/C22H22O5/c1-4-26-22(23)16-12-17-18(24-2)10-11-19(25-3)21(17)20(13-16)27-14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3
SMILES	CCOC(=O)c1cc(OCc2ccccc2)c2c(c1)c(OC)ccc2OC
InChI Key	XCASSKXAVDMPQF-UHFFFAOYSA-N
Molecular Formula	C22H22O5
Exact Mass	366.407 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/XCASSKXAVDMPQF-UHFFFAOYSA-N/additional
License URL
Source	https://www.chemotion-repository.net/inchikey/XCASSKXAVDMPQF-UHFFFAOYSA-N/additional
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:06:25.290805
MetadataModified	2024-09-07T13:35:35.889180
MetadataPublished	2014-05-27

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
10992171	PubChem
ZINC000095937673	ZINC
16051070	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.