Dataset
Farrerol
Chemical Info
InChI | InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3 |
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SMILES | C(C1=C(C2=C(C(=C1O[H])C([H])([H])[H])OC(C(C2=O)([H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H] |
InChI Key | DYHOLQACRGJEHX-UHFFFAOYSA-N |
Molecular Formula | C17H16O5 |
Exact Mass | 300.100 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-BS003519 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:33:55.974629 |
MetadataModified | 2024-01-11T12:33:56.132629 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
91144 | PubChem |
60028712 | NMRShiftDB |
85850933 | PubChem: Thomson Pharma |
SCHEMBL928045 | SureChEMBL |
PD086902 | ProbesDrugs |
CB4417440 | ChemicalBook |
CHEMBL1224582 | ChEMBL |
29543021 | eMolecules |
The data in this table is sourced from UniChem at EBI. |