Dataset

additional

Chemical Info

InChI	InChI=1S/C17H18O6/c1-5-22-17(19)11-8-12-13(20-3)6-7-14(21-4)16(12)15(9-11)23-10(2)18/h6-9H,5H2,1-4H3
SMILES	CCOC(=O)c1cc(OC(=O)C)c2c(c1)c(OC)ccc2OC
InChI Key	PTDZJPKRIGERKK-UHFFFAOYSA-N
Molecular Formula	C17H18O6
Exact Mass	318.321 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/PTDZJPKRIGERKK-UHFFFAOYSA-N/additional
License URL
Source	https://www.chemotion-repository.net/inchikey/PTDZJPKRIGERKK-UHFFFAOYSA-N/additional
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:06:00.788121
MetadataModified	2024-09-07T13:35:00.697520
MetadataPublished	2014-05-27

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
SCHEMBL10394316	SureChEMBL
16402311	PubChem: Thomson Pharma
11313167	PubChem
J1.831.244A	Nikkaji
ZINC000095937536	ZINC
The data in this table is sourced from UniChem at EBI.