Dataset
Isoplumericin
Chemical Info
InChI | InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1 |
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SMILES | COC(=O)C(=C4)[C@@]([H])(C=3)[C@]([H])([C@]([H])(O4)1)[C@](C3)(O2)[C@]([H])(C(=CC)C(=O)2)O1 |
InChI Key | VFXXNAVZODKBIW-SIEBBUFOSA-N |
Molecular Formula | C15H14O6 |
Exact Mass | 290.079 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00800 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:42:04.552955 |
MetadataModified | 2024-01-11T16:42:04.721377 |
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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J907.073G | Nikkaji |
J152.076H | Nikkaji |
5281543 | PubChem |
60028118 | NMRShiftDB |
6042 | ChEBI |
CHEMBL463014 | ChEMBL |
C09787 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |