Dataset
Claussequinone
Chemical Info
InChI | InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3 |
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SMILES | COc(c3)c(=O)cc(c(=O)3)C(C1)Cc(c2)c(cc(O)c2)O1 |
InChI Key | PDAKXMIQFUHWQC-UHFFFAOYSA-N |
Molecular Formula | C16H14O5 |
Exact Mass | 286.084 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00285 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:43:29.639380 |
MetadataModified | 2024-01-11T16:43:29.814899 |
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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20182157 | NMRShiftDB |
177044 | ChEBI |
LMPK12080051 | LipidMaps |
100072 | PubChem |
3708-39-2 | ACToR |
SCHEMBL571133 | SureChEMBL |
15071963 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |