Dataset
Justicidin B
Chemical Info
InChI | InChI=1S/C21H16O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-8H,9-10H2,1-2H3 |
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SMILES | COC1=CC2=CC3=C(C(=C2C=C1OC)C4=CC5=C(C=C4)OCO5)C(=O)OC3 |
InChI Key | RTDRYYULUYRTAN-UHFFFAOYSA-N |
Molecular Formula | C21H16O6 |
Exact Mass | 364.095 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-Washington_State_Univ-BML01604 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:11.312677 |
MetadataModified | 2024-01-11T22:27:11.474762 |
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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C10636 | KEGG Ligand |
5757488 | eMolecules |
MCULE-8165958743 | Mcule |
6094 | ChEBI |
CHEMBL466361 | ChEMBL |
14953772 | PubChem: Thomson Pharma |
RQQ8T34V5F | FDA SRS |
17951-19-8 | ACToR |
60019985 | NMRShiftDB |
J13.813D | Nikkaji |
442882 | PubChem |
SCHEMBL4733970 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |