Dataset
Robinetin trimethyl ether
Chemical Info
InChI | InChI=1S/C18H16O7/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-5-4-10(19)8-12(11)25-17/h4-8,19,21H,1-3H3 |
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SMILES | COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O |
InChI Key | NJNGYVOYOVPWBB-UHFFFAOYSA-N |
Molecular Formula | C18H16O7 |
Exact Mass | 344.090 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01859 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:39.600027 |
MetadataModified | 2024-01-11T22:28:39.770328 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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ZINC000002146994 | ZINC |
CB0314684 | ChemicalBook |
14925059 | PubChem: Thomson Pharma |
SCHEMBL4649883 | SureChEMBL |
6250403 | PubChem |
181467 | ChEBI |
CHEMBL1801020 | ChEMBL |
890523 | eMolecules |
The data in this table is sourced from UniChem at EBI. |