Dataset
7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate
Chemical Info
InChI | InChI=1S/C23H18O10/c1-11(24)29-16-8-21(32-14(4)27)23-17(28)10-19(33-22(23)9-16)15-5-6-18(30-12(2)25)20(7-15)31-13(3)26/h5-10H,1-4H3 |
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SMILES | CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C |
InChI Key | MABQMQKDSPCURQ-UHFFFAOYSA-N |
Molecular Formula | C23H18O10 |
Exact Mass | 454.090 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-BML80580 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:29.140869 |
MetadataModified | 2024-01-11T22:28:29.300981 |
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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J46.391D | Nikkaji |
DTXSID10147511 | EPA CompTox Dashboard |
ZINC000001082863 | ZINC |
MCULE-5118400559 | Mcule |
SCHEMBL6725835 | SureChEMBL |
135952 | PubChem |
1061-93-4 | ACToR |
CHEMBL88961 | ChEMBL |
4785279 | eMolecules |
The data in this table is sourced from UniChem at EBI. |