Dataset
Altenuene
Chemical Info
InChI | InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1 |
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SMILES | C[C@]12C[C@@H]([C@H](C=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O)O |
InChI Key | MMHTXEATDNFMMY-WBIUFABUSA-N |
Molecular Formula | C15H16O6 |
Exact Mass | 292.095 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-AAFC-AC000059 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:23:43.363640 |
MetadataModified | 2024-01-11T09:23:43.558284 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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CHEMBL482228 | ChEMBL |
10190072 | eMolecules |
DTXSID60891799 | EPA CompTox Dashboard |
MCULE-5937986428 | Mcule |
ZINC000004533847 | ZINC |
80003245 | NMRShiftDB |
29752-43-0 | ACToR |
J513.107C | Nikkaji |
34687 | PubChem |
The data in this table is sourced from UniChem at EBI. |