Dataset
Cohumulone
Chemical Info
InChI | InChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3 |
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SMILES | C(C(C([H])([H])[H])(C(=O)C1=C(C(=C(C(C1=O)(C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])O[H])O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])O[H])[H])([H])([H])[H] |
InChI Key | DRSITEVYZGOOQG-UHFFFAOYSA-N |
Molecular Formula | C20H28O5 |
Exact Mass | 348.194 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003091 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:27.787563 |
MetadataModified | 2024-01-11T12:34:27.956456 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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196915 | PubChem |
175443 | ChEBI |
J638.398J | Nikkaji |
511-25-1 | ACToR |
60023818 | NMRShiftDB |
142628-20-4 | ACToR |
SCHEMBL317724 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |