Dataset
Decarestrictine F
Chemical Info
InChI | InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1 |
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SMILES | C[C@@H]1C[C@H]2[C@H](O2)/C=C\C(=O)CC(=O)O1 |
InChI Key | MXRJZFNJVFPSQN-NQRYBKARSA-N |
Molecular Formula | C10H12O4 |
Exact Mass | 196.074 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-AAFC-AC000768 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:21:43.037193 |
MetadataModified | 2024-01-11T09:21:43.196241 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J506.446E | Nikkaji |
101635652 | PubChem |
DTXSID20894004 | EPA CompTox Dashboard |
60053518 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |